NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597623 |
2mwc   |
25308 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mwc
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 971
_Distance_constraint_stats_list.Viol_count 1277
_Distance_constraint_stats_list.Viol_total 2376.235
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0930
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.100 0.039 18 0 "[ . 1 . 2]"
1 3 LYS 3.271 0.230 9 0 "[ . 1 . 2]"
1 4 ASN 4.541 0.201 5 0 "[ . 1 . 2]"
1 5 THR 4.026 0.180 8 0 "[ . 1 . 2]"
1 6 VAL 1.680 0.230 19 0 "[ . 1 . 2]"
1 7 VAL 3.213 0.176 6 0 "[ . 1 . 2]"
1 8 ARG 9.367 0.244 9 0 "[ . 1 . 2]"
1 9 GLY 6.962 0.382 3 0 "[ . 1 . 2]"
1 10 LEU 6.141 0.382 3 0 "[ . 1 . 2]"
1 11 GLU 0.231 0.061 18 0 "[ . 1 . 2]"
1 12 ASN 0.615 0.172 13 0 "[ . 1 . 2]"
1 13 VAL 4.251 0.191 5 0 "[ . 1 . 2]"
1 14 GLU 0.130 0.082 15 0 "[ . 1 . 2]"
1 15 ALA 0.652 0.163 10 0 "[ . 1 . 2]"
1 16 LEU 1.130 0.186 13 0 "[ . 1 . 2]"
1 17 GLU 2.797 0.201 18 0 "[ . 1 . 2]"
1 18 GLY 1.708 0.156 6 0 "[ . 1 . 2]"
1 19 GLY 0.566 0.101 9 0 "[ . 1 . 2]"
1 20 GLU 0.303 0.068 16 0 "[ . 1 . 2]"
1 21 ALA 0.044 0.044 18 0 "[ . 1 . 2]"
1 22 LEU 3.350 0.191 5 0 "[ . 1 . 2]"
1 23 PHE 0.652 0.105 6 0 "[ . 1 . 2]"
1 24 GLU 1.941 0.124 2 0 "[ . 1 . 2]"
1 25 CYS 1.749 0.180 18 0 "[ . 1 . 2]"
1 26 GLN 1.102 0.181 1 0 "[ . 1 . 2]"
1 27 LEU 2.669 0.222 6 0 "[ . 1 . 2]"
1 28 SER 2.482 0.230 19 0 "[ . 1 . 2]"
1 29 GLN 6.756 0.212 13 0 "[ . 1 . 2]"
1 30 PRO 0.439 0.095 5 0 "[ . 1 . 2]"
1 31 GLU 2.359 0.274 9 0 "[ . 1 . 2]"
1 32 VAL 3.948 0.274 9 0 "[ . 1 . 2]"
1 33 ALA 0.008 0.008 18 0 "[ . 1 . 2]"
1 34 ALA 1.925 0.593 19 1 "[ . 1 . +2]"
1 35 HIS 0.605 0.139 17 0 "[ . 1 . 2]"
1 36 THR 1.604 0.166 16 0 "[ . 1 . 2]"
1 37 TRP 0.961 0.117 6 0 "[ . 1 . 2]"
1 38 LEU 3.206 0.151 20 0 "[ . 1 . 2]"
1 39 LEU 16.845 0.334 11 0 "[ . 1 . 2]"
1 40 ASP 8.923 0.264 20 0 "[ . 1 . 2]"
1 41 ASP 4.236 0.275 18 0 "[ . 1 . 2]"
1 42 GLU 10.784 0.334 11 0 "[ . 1 . 2]"
1 43 PRO 0.613 0.127 10 0 "[ . 1 . 2]"
1 44 VAL 0.811 0.089 20 0 "[ . 1 . 2]"
1 45 ARG 3.121 0.311 16 0 "[ . 1 . 2]"
1 46 THR 6.531 0.285 17 0 "[ . 1 . 2]"
1 47 SER 1.555 0.195 5 0 "[ . 1 . 2]"
1 48 GLU 0.059 0.039 1 0 "[ . 1 . 2]"
1 49 ASN 0.654 0.112 6 0 "[ . 1 . 2]"
1 50 ALA 2.006 0.195 5 0 "[ . 1 . 2]"
1 51 GLU 1.161 0.215 20 0 "[ . 1 . 2]"
1 52 VAL 8.517 0.311 16 0 "[ . 1 . 2]"
1 53 VAL 1.038 0.165 11 0 "[ . 1 . 2]"
1 54 PHE 3.081 0.254 7 0 "[ . 1 . 2]"
1 55 PHE 0.863 0.168 5 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.146 0.076 18 0 "[ . 1 . 2]"
1 58 GLY 0.069 0.069 18 0 "[ . 1 . 2]"
1 59 LEU 2.328 0.254 7 0 "[ . 1 . 2]"
1 60 ARG 12.280 0.993 16 11 "[** .* **1 * -+* **]"
1 61 HIS 12.012 0.993 16 11 "[** .* **1 * -+* **]"
1 62 LEU 1.681 0.168 5 0 "[ . 1 . 2]"
1 63 LEU 0.402 0.139 16 0 "[ . 1 . 2]"
1 64 LEU 1.927 0.298 11 0 "[ . 1 . 2]"
1 65 LEU 1.135 0.298 11 0 "[ . 1 . 2]"
1 66 LYS 1.615 0.229 5 0 "[ . 1 . 2]"
1 67 ASN 0.691 0.104 6 0 "[ . 1 . 2]"
1 68 LEU 2.381 0.156 6 0 "[ . 1 . 2]"
1 69 ARG 0.910 0.137 10 0 "[ . 1 . 2]"
1 70 PRO 0.481 0.087 6 0 "[ . 1 . 2]"
1 71 GLN 2.787 0.195 6 0 "[ . 1 . 2]"
1 72 ASP 0.391 0.087 6 0 "[ . 1 . 2]"
1 73 SER 0.009 0.009 1 0 "[ . 1 . 2]"
1 74 CYS 2.069 0.204 18 0 "[ . 1 . 2]"
1 75 ARG 6.139 0.264 20 0 "[ . 1 . 2]"
1 76 VAL 0.220 0.069 9 0 "[ . 1 . 2]"
1 77 THR 0.167 0.069 20 0 "[ . 1 . 2]"
1 78 PHE 0.677 0.112 6 0 "[ . 1 . 2]"
1 79 LEU 4.107 0.166 16 0 "[ . 1 . 2]"
1 80 ALA 0.736 0.125 14 0 "[ . 1 . 2]"
1 81 GLY 1.599 0.593 19 1 "[ . 1 . +2]"
1 82 ASP 2.283 0.201 5 0 "[ . 1 . 2]"
1 83 MET 2.236 0.167 17 0 "[ . 1 . 2]"
1 84 VAL 0.367 0.075 3 0 "[ . 1 . 2]"
1 85 THR 6.375 0.244 9 0 "[ . 1 . 2]"
1 86 SER 0.160 0.081 5 0 "[ . 1 . 2]"
1 87 ALA 2.411 0.252 18 0 "[ . 1 . 2]"
1 88 PHE 1.736 0.172 13 0 "[ . 1 . 2]"
1 89 LEU 0.677 0.163 10 0 "[ . 1 . 2]"
1 90 THR 0.301 0.082 15 0 "[ . 1 . 2]"
1 91 VAL 2.049 0.204 18 0 "[ . 1 . 2]"
1 92 ARG 1.858 0.201 18 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 2 ALA H 1.800 . 6.000 2.562 2.137 3.474 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HB 1 2 ALA H 1.800 . 6.000 4.091 3.320 4.672 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 2 ALA MB 1.800 . 6.000 2.678 2.523 2.887 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 3 LYS QG 1.800 . 5.000 4.525 2.366 5.039 0.039 18 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 3 LYS QD 1.800 . 5.000 4.786 4.407 5.230 0.230 9 0 "[ . 1 . 2]" 1
6 1 3 LYS H 1 3 LYS QG 1.800 . 6.000 3.941 2.472 4.317 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS H 1 4 ASN H 1.800 . 6.000 4.085 3.843 4.496 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS HA 1 4 ASN H 1.800 . 4.200 2.201 2.157 2.323 . 0 0 "[ . 1 . 2]" 1
9 1 3 LYS QB 1 4 ASN H 1.800 . 6.000 3.644 2.972 3.895 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS QB 1 29 GLN H 1.800 . 6.000 6.082 5.810 6.212 0.212 13 0 "[ . 1 . 2]" 1
11 1 3 LYS QD 1 4 ASN H 1.800 . 6.000 4.124 1.854 5.111 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS QD 1 5 THR HB 1.800 . 5.000 4.725 3.585 5.113 0.113 2 0 "[ . 1 . 2]" 1
13 1 3 LYS QE 1 5 THR HB 1.800 . 5.000 3.852 2.838 5.150 0.150 13 0 "[ . 1 . 2]" 1
14 1 3 LYS QG 1 4 ASN H 1.800 . 6.000 3.114 2.296 4.276 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS QG 1 5 THR HB 1.800 . 6.000 4.328 3.652 6.030 0.030 6 0 "[ . 1 . 2]" 1
16 1 4 ASN H 1 82 ASP QB 1.800 . 6.000 6.114 6.025 6.201 0.201 5 0 "[ . 1 . 2]" 1
17 1 4 ASN H 1 83 MET ME 1.800 . 6.000 4.884 4.382 5.821 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASN HA 1 5 THR H 1.800 . 4.200 2.214 2.144 2.249 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASN HA 1 29 GLN H 1.800 . 5.000 5.022 4.901 5.129 0.129 8 0 "[ . 1 . 2]" 1
20 1 4 ASN QB 1 5 THR H 1.800 . 6.000 3.566 3.269 3.958 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASN QB 1 29 GLN H 1.800 . 6.000 6.077 5.989 6.177 0.177 13 0 "[ . 1 . 2]" 1
22 1 4 ASN QB 1 82 ASP QB 1.800 . 6.000 4.544 3.646 5.579 . 0 0 "[ . 1 . 2]" 1
23 1 4 ASN QB 1 83 MET ME 1.800 . 5.000 2.396 2.077 3.866 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR H 1 5 THR MG 1.800 . 6.000 3.914 3.832 3.987 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 27 LEU MD2 1.800 . 5.000 4.547 2.583 5.133 0.133 9 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 28 SER H 1.800 . 4.200 2.957 2.215 3.348 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR H 1 28 SER QB 1.800 . 4.200 2.479 1.912 3.454 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR H 1 29 GLN H 1.800 . 5.000 5.115 5.021 5.180 0.180 8 0 "[ . 1 . 2]" 1
29 1 5 THR H 1 29 GLN QG 1.800 . 5.000 4.523 3.633 5.146 0.146 10 0 "[ . 1 . 2]" 1
30 1 5 THR HA 1 6 VAL H 1.800 . 3.500 2.132 2.081 2.180 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR HA 1 83 MET ME 1.800 . 6.000 3.092 2.356 4.353 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR HB 1 28 SER QB 1.800 . 4.200 2.595 2.230 3.299 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR MG 1 6 VAL H 1.800 . 5.000 3.040 2.887 3.140 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR MG 1 7 VAL MG2 1.800 . 5.000 3.578 3.147 4.202 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR MG 1 27 LEU HA 1.800 . 6.000 5.555 4.715 6.069 0.069 14 0 "[ . 1 . 2]" 1
36 1 5 THR MG 1 28 SER H 1.800 . 6.000 4.686 4.223 5.033 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR MG 1 28 SER QB 1.800 . 5.000 3.755 3.198 4.194 . 0 0 "[ . 1 . 2]" 1
38 1 6 VAL H 1 6 VAL MG1 1.800 . 6.000 2.507 2.021 3.780 . 0 0 "[ . 1 . 2]" 1
39 1 6 VAL H 1 6 VAL MG2 1.800 . 6.000 3.485 2.013 3.781 . 0 0 "[ . 1 . 2]" 1
40 1 6 VAL H 1 83 MET QB 1.800 . 6.000 3.334 2.740 4.209 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL HA 1 7 VAL H 1.800 . 4.200 2.124 2.081 2.163 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL HA 1 27 LEU HA 1.800 . 5.000 2.480 2.261 3.011 . 0 0 "[ . 1 . 2]" 1
43 1 6 VAL HA 1 28 SER H 1.800 . 4.200 3.192 2.806 3.540 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL HA 1 28 SER HA 1.800 . 6.000 6.017 5.636 6.230 0.230 19 0 "[ . 1 . 2]" 1
45 1 6 VAL HB 1 7 VAL H 1.800 . 6.000 4.232 4.139 4.425 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL HB 1 83 MET QB 1.800 . 6.000 2.454 2.167 4.467 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL QG 1 27 LEU HA 1.800 . 6.000 3.377 2.881 3.830 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL MG1 1 7 VAL H 1.800 . 4.200 3.556 2.382 3.976 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL MG1 1 8 ARG H 1.800 . 4.200 3.770 1.992 4.256 0.056 12 0 "[ . 1 . 2]" 1
50 1 6 VAL MG1 1 9 GLY H 1.800 . 5.000 4.453 3.195 5.033 0.033 16 0 "[ . 1 . 2]" 1
51 1 6 VAL MG2 1 27 LEU QB 1.800 . 6.000 3.289 2.324 4.907 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL MG2 1 27 LEU MD1 1.800 . 6.000 3.884 2.557 5.026 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL MG2 1 27 LEU MD2 1.800 . 6.000 4.434 2.216 5.589 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL MG2 1 83 MET ME 1.800 . 4.200 3.319 2.006 4.157 . 0 0 "[ . 1 . 2]" 1
55 1 7 VAL H 1 7 VAL MG1 1.800 . 6.000 3.774 3.714 3.796 . 0 0 "[ . 1 . 2]" 1
56 1 7 VAL H 1 7 VAL MG2 1.800 . 6.000 2.299 1.990 2.781 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL H 1 8 ARG H 1.800 . 4.200 2.149 1.989 2.325 . 0 0 "[ . 1 . 2]" 1
58 1 7 VAL H 1 9 GLY H 1.800 . 6.000 6.029 5.790 6.176 0.176 6 0 "[ . 1 . 2]" 1
59 1 7 VAL H 1 26 GLN H 1.800 . 5.000 4.626 4.187 5.030 0.030 14 0 "[ . 1 . 2]" 1
60 1 7 VAL H 1 26 GLN QB 1.800 . 6.000 3.971 3.501 4.663 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL H 1 27 LEU HA 1.800 . 4.200 2.574 1.923 3.200 . 0 0 "[ . 1 . 2]" 1
62 1 7 VAL H 1 28 SER H 1.800 . 5.000 3.871 3.409 4.465 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL H 1 28 SER QB 1.800 . 6.000 4.870 4.145 5.324 . 0 0 "[ . 1 . 2]" 1
64 1 7 VAL HA 1 8 ARG H 1.800 . 4.200 3.513 3.424 3.542 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL HA 1 27 LEU HA 1.800 . 6.000 5.264 4.449 6.016 0.016 15 0 "[ . 1 . 2]" 1
66 1 7 VAL HB 1 8 ARG H 1.800 . 5.000 2.553 2.381 2.895 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL HB 1 8 ARG HA 1.800 . 6.000 4.747 4.620 4.932 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL HB 1 8 ARG QD 1.800 . 6.000 5.690 5.356 6.060 0.060 13 0 "[ . 1 . 2]" 1
69 1 7 VAL HB 1 26 GLN QB 1.800 . 4.200 2.522 2.118 3.661 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL HB 1 26 GLN QG 1.800 . 6.000 3.976 2.329 4.942 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL MG1 1 8 ARG QB 1.800 . 5.000 3.150 2.673 3.477 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL MG1 1 8 ARG QD 1.800 . 5.000 4.933 4.483 5.070 0.070 20 0 "[ . 1 . 2]" 1
73 1 7 VAL MG1 1 26 GLN H 1.800 . 6.000 5.133 4.478 5.679 . 0 0 "[ . 1 . 2]" 1
74 1 7 VAL MG1 1 26 GLN QB 1.800 . 6.000 3.279 2.497 4.178 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL MG1 1 26 GLN QG 1.800 . 6.000 4.325 2.956 5.299 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL MG2 1 26 GLN QB 1.800 . 6.000 3.441 2.947 4.809 . 0 0 "[ . 1 . 2]" 1
77 1 7 VAL MG2 1 26 GLN QG 1.800 . 6.000 4.466 2.552 5.264 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL MG2 1 28 SER H 1.800 . 6.000 3.207 2.456 3.921 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL MG2 1 83 MET ME 1.800 . 5.000 5.073 4.838 5.167 0.167 17 0 "[ . 1 . 2]" 1
80 1 8 ARG H 1 8 ARG QD 1.800 . 6.000 4.996 4.765 5.240 . 0 0 "[ . 1 . 2]" 1
81 1 8 ARG H 1 9 GLY H 1.800 . 4.200 4.214 4.067 4.289 0.089 2 0 "[ . 1 . 2]" 1
82 1 8 ARG H 1 9 GLY QA 1.800 . 6.000 4.405 4.286 4.493 . 0 0 "[ . 1 . 2]" 1
83 1 8 ARG H 1 25 CYS HA 1.800 . 5.000 4.993 4.674 5.180 0.180 18 0 "[ . 1 . 2]" 1
84 1 8 ARG H 1 25 CYS QB 1.800 . 6.000 5.063 4.131 6.039 0.039 1 0 "[ . 1 . 2]" 1
85 1 8 ARG H 1 26 GLN H 1.800 . 4.200 3.284 2.918 3.681 . 0 0 "[ . 1 . 2]" 1
86 1 8 ARG H 1 26 GLN HA 1.800 . 6.000 5.076 4.693 5.268 . 0 0 "[ . 1 . 2]" 1
87 1 8 ARG H 1 26 GLN QB 1.800 . 4.200 3.243 2.540 3.807 . 0 0 "[ . 1 . 2]" 1
88 1 8 ARG H 1 27 LEU HA 1.800 . 6.000 4.108 3.387 4.650 . 0 0 "[ . 1 . 2]" 1
89 1 8 ARG HA 1 9 GLY H 1.800 . 4.200 2.165 2.112 2.264 . 0 0 "[ . 1 . 2]" 1
90 1 8 ARG HA 1 25 CYS HA 1.800 . 6.000 5.677 5.271 6.009 0.009 2 0 "[ . 1 . 2]" 1
91 1 8 ARG HA 1 26 GLN H 1.800 . 5.000 4.868 4.346 5.056 0.056 2 0 "[ . 1 . 2]" 1
92 1 8 ARG QB 1 9 GLY H 1.800 . 6.000 3.597 3.376 3.763 . 0 0 "[ . 1 . 2]" 1
93 1 8 ARG QB 1 26 GLN H 1.800 . 6.000 2.695 2.093 3.325 . 0 0 "[ . 1 . 2]" 1
94 1 8 ARG QB 1 26 GLN QB 1.800 . 5.000 2.612 2.200 3.147 . 0 0 "[ . 1 . 2]" 1
95 1 8 ARG QB 1 26 GLN QG 1.800 . 5.000 3.660 3.044 4.155 . 0 0 "[ . 1 . 2]" 1
96 1 8 ARG QD 1 9 GLY H 1.800 . 6.000 4.512 3.912 4.989 . 0 0 "[ . 1 . 2]" 1
97 1 8 ARG QD 1 24 GLU QG 1.800 . 6.000 5.716 4.770 6.089 0.089 13 0 "[ . 1 . 2]" 1
98 1 8 ARG QD 1 26 GLN H 1.800 . 6.000 3.987 3.186 4.596 . 0 0 "[ . 1 . 2]" 1
99 1 8 ARG QD 1 26 GLN QG 1.800 . 5.000 4.291 3.338 5.007 0.007 14 0 "[ . 1 . 2]" 1
100 1 8 ARG QG 1 9 GLY H 1.800 . 6.000 2.452 1.944 2.894 . 0 0 "[ . 1 . 2]" 1
101 1 8 ARG QG 1 26 GLN H 1.800 . 5.000 3.134 2.106 4.022 . 0 0 "[ . 1 . 2]" 1
102 1 8 ARG QG 1 26 GLN QB 1.800 . 5.000 4.218 3.298 5.015 0.015 2 0 "[ . 1 . 2]" 1
103 1 8 ARG QG 1 26 GLN QG 1.800 . 5.000 4.783 4.101 5.181 0.181 1 0 "[ . 1 . 2]" 1
104 1 8 ARG HG2 1 85 THR HB 1.800 . 6.000 6.104 6.021 6.233 0.233 8 0 "[ . 1 . 2]" 1
105 1 8 ARG HG2 1 85 THR MG 1.800 . 6.000 5.537 5.416 5.688 . 0 0 "[ . 1 . 2]" 1
106 1 8 ARG HG3 1 85 THR HB 1.800 . 6.000 6.172 6.082 6.244 0.244 9 0 "[ . 1 . 2]" 1
107 1 8 ARG HG3 1 85 THR MG 1.800 . 6.000 5.860 5.439 6.037 0.037 10 0 "[ . 1 . 2]" 1
108 1 9 GLY H 1 10 LEU H 1.800 . 6.000 4.334 3.993 4.491 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLY H 1 10 LEU HG 1.800 . 5.800 6.063 5.817 6.182 0.382 3 0 "[ . 1 . 2]" 1
110 1 9 GLY QA 1 10 LEU H 1.800 . 5.000 2.259 2.121 2.330 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLY QA 1 10 LEU QB 1.800 . 6.000 4.172 4.066 4.277 . 0 0 "[ . 1 . 2]" 1
112 1 9 GLY QA 1 10 LEU MD1 1.800 . 6.000 4.564 4.413 4.819 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLY QA 1 10 LEU HG 1.800 . 6.000 3.555 3.407 3.639 . 0 0 "[ . 1 . 2]" 1
114 1 9 GLY QA 1 86 SER H 1.800 . 6.000 4.517 4.103 4.989 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLY HA2 1 25 CYS QB 1.800 . 6.000 3.394 2.280 4.393 . 0 0 "[ . 1 . 2]" 1
116 1 9 GLY HA3 1 25 CYS QB 1.800 . 6.000 4.849 3.697 5.647 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU H 1 10 LEU QB 1.800 . 6.000 2.398 2.323 2.518 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU H 1 10 LEU MD1 1.800 . 6.000 3.318 3.095 3.577 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU H 1 10 LEU MD2 1.800 . 6.000 3.516 2.893 3.804 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU H 1 10 LEU HG 1.800 . 6.000 2.182 1.874 2.388 . 0 0 "[ . 1 . 2]" 1
121 1 10 LEU H 1 11 GLU H 1.800 . 5.000 4.624 4.598 4.651 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU H 1 25 CYS QB 1.800 . 6.000 4.326 3.588 5.188 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU H 1 85 THR HB 1.800 . 6.000 1.975 1.722 2.942 0.078 7 0 "[ . 1 . 2]" 1
124 1 10 LEU H 1 85 THR MG 1.800 . 4.200 3.411 3.186 3.691 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU H 1 86 SER H 1.800 . 6.000 3.808 3.420 4.366 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU H 1 87 ALA MB 1.800 . 6.000 4.196 3.908 4.821 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU HA 1 11 GLU H 1.800 . 3.500 2.397 2.244 2.500 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU HA 1 25 CYS HA 1.800 . 5.000 4.682 4.006 5.081 0.081 16 0 "[ . 1 . 2]" 1
129 1 10 LEU QB 1 11 GLU H 1.800 . 6.000 2.519 2.310 2.881 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU QB 1 86 SER H 1.800 . 5.000 3.598 3.224 4.086 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU QD 1 23 PHE QB 1.800 . 5.000 2.112 1.975 2.443 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU QD 1 23 PHE QD 1.800 . 5.000 2.261 2.133 2.607 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU QD 1 24 GLU HA 1.800 . 6.000 4.502 3.115 5.222 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU QD 1 37 TRP HH2 1.800 . 5.000 3.329 2.264 4.333 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU QD 1 76 VAL MG1 1.800 . 5.000 2.118 1.906 2.293 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU QD 1 78 PHE QB 1.800 . 5.000 2.240 2.005 2.520 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU QD 1 78 PHE QE 1.800 . 6.000 4.967 4.597 5.351 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU QD 1 85 THR HB 1.800 . 5.000 3.669 3.322 4.512 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU QD 1 87 ALA MB 1.800 . 4.200 3.209 2.952 3.891 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU MD1 1 11 GLU H 1.800 . 5.000 4.644 4.417 4.817 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU MD1 1 78 PHE H 1.800 . 4.200 2.927 2.101 3.594 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU MD1 1 85 THR MG 1.800 . 6.000 4.138 3.712 4.992 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU MD1 1 86 SER H 1.800 . 5.000 3.864 3.387 4.477 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU MD2 1 11 GLU H 1.800 . 6.000 3.380 3.190 3.627 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU MD2 1 24 GLU H 1.800 . 6.000 4.121 2.895 4.966 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU MD2 1 24 GLU HA 1.800 . 6.000 4.560 3.152 5.296 . 0 0 "[ . 1 . 2]" 1
147 1 10 LEU MD2 1 76 VAL MG1 1.800 . 4.200 3.043 2.395 3.824 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU MD2 1 78 PHE H 1.800 . 6.000 5.172 4.184 6.050 0.050 6 0 "[ . 1 . 2]" 1
149 1 10 LEU MD2 1 85 THR MG 1.800 . 5.000 4.704 4.408 5.028 0.028 2 0 "[ . 1 . 2]" 1
150 1 10 LEU MD2 1 86 SER H 1.800 . 6.000 5.873 5.607 6.081 0.081 5 0 "[ . 1 . 2]" 1
151 1 10 LEU MD2 1 87 ALA H 1.800 . 6.000 4.902 4.494 5.758 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLU H 1 11 GLU QG 1.800 . 6.000 2.771 2.028 4.074 . 0 0 "[ . 1 . 2]" 1
153 1 11 GLU H 1 12 ASN H 1.800 . 5.000 4.404 4.380 4.426 . 0 0 "[ . 1 . 2]" 1
154 1 11 GLU H 1 23 PHE QD 1.800 . 5.000 2.852 1.780 4.645 0.020 15 0 "[ . 1 . 2]" 1
155 1 11 GLU H 1 24 GLU H 1.800 . 6.000 5.231 4.625 5.644 . 0 0 "[ . 1 . 2]" 1
156 1 11 GLU HA 1 12 ASN H 1.800 . 3.500 2.394 2.202 2.573 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLU QB 1 12 ASN H 1.800 . 5.000 2.510 2.109 3.640 . 0 0 "[ . 1 . 2]" 1
158 1 11 GLU QG 1 12 ASN H 1.800 . 5.000 3.583 2.291 4.321 . 0 0 "[ . 1 . 2]" 1
159 1 11 GLU QG 1 24 GLU H 1.800 . 6.000 5.263 3.867 6.061 0.061 18 0 "[ . 1 . 2]" 1
160 1 12 ASN H 1 87 ALA MB 1.800 . 4.200 3.187 2.457 3.438 . 0 0 "[ . 1 . 2]" 1
161 1 12 ASN H 1 88 PHE H 1.800 . 6.000 4.935 4.317 5.178 . 0 0 "[ . 1 . 2]" 1
162 1 12 ASN HA 1 13 VAL H 1.800 . 3.500 2.248 2.189 2.327 . 0 0 "[ . 1 . 2]" 1
163 1 12 ASN HA 1 13 VAL MG2 1.800 . 5.000 3.622 3.130 3.863 . 0 0 "[ . 1 . 2]" 1
164 1 12 ASN HA 1 88 PHE H 1.800 . 5.000 3.456 3.269 3.579 . 0 0 "[ . 1 . 2]" 1
165 1 12 ASN QB 1 88 PHE H 1.800 . 5.000 4.051 3.599 4.840 . 0 0 "[ . 1 . 2]" 1
166 1 12 ASN QB 1 88 PHE QB 1.800 . 4.200 3.711 3.459 4.207 0.007 10 0 "[ . 1 . 2]" 1
167 1 12 ASN QB 1 88 PHE QD 1.800 . 6.000 4.138 3.893 4.456 . 0 0 "[ . 1 . 2]" 1
168 1 12 ASN QB 1 88 PHE QE 1.800 . 6.000 5.968 5.675 6.172 0.172 13 0 "[ . 1 . 2]" 1
169 1 13 VAL H 1 13 VAL MG1 1.800 . 6.000 3.863 3.809 4.020 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL H 1 13 VAL MG2 1.800 . 6.000 3.040 2.690 3.225 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL H 1 23 PHE QE 1.800 . 6.000 4.134 3.814 4.482 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL H 1 23 PHE HZ 1.800 . 4.200 4.015 3.490 4.250 0.050 12 0 "[ . 1 . 2]" 1
173 1 13 VAL H 1 88 PHE H 1.800 . 5.000 5.041 4.915 5.156 0.156 20 0 "[ . 1 . 2]" 1
174 1 13 VAL H 1 88 PHE QB 1.800 . 6.000 4.442 4.195 4.743 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL H 1 89 LEU HA 1.800 . 5.000 3.172 2.724 3.694 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL H 1 90 THR H 1.800 . 6.000 3.994 3.674 4.416 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL HA 1 14 GLU H 1.800 . 3.500 2.164 2.127 2.202 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL HB 1 14 GLU H 1.800 . 6.000 4.211 3.913 4.305 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL HB 1 90 THR H 1.800 . 6.000 3.987 3.680 4.777 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL QG 1 21 ALA MB 1.800 . 4.200 2.155 1.992 2.467 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL MG1 1 14 GLU H 1.800 . 6.000 2.493 2.350 2.631 . 0 0 "[ . 1 . 2]" 1
182 1 13 VAL MG1 1 14 GLU HA 1.800 . 5.000 3.638 3.471 3.912 . 0 0 "[ . 1 . 2]" 1
183 1 13 VAL MG1 1 21 ALA MB 1.800 . 4.200 2.181 2.009 2.519 . 0 0 "[ . 1 . 2]" 1
184 1 13 VAL MG1 1 22 LEU HA 1.800 . 5.000 5.086 4.942 5.191 0.191 5 0 "[ . 1 . 2]" 1
185 1 13 VAL MG1 1 89 LEU MD1 1.800 . 4.200 2.805 2.251 3.603 . 0 0 "[ . 1 . 2]" 1
186 1 13 VAL MG2 1 14 GLU H 1.800 . 6.000 3.863 3.733 4.134 . 0 0 "[ . 1 . 2]" 1
187 1 13 VAL MG2 1 21 ALA MB 1.800 . 5.000 3.435 2.761 3.732 . 0 0 "[ . 1 . 2]" 1
188 1 13 VAL MG2 1 22 LEU H 1.800 . 5.000 3.599 3.325 3.910 . 0 0 "[ . 1 . 2]" 1
189 1 13 VAL MG2 1 22 LEU HA 1.800 . 5.000 5.049 4.899 5.104 0.104 6 0 "[ . 1 . 2]" 1
190 1 13 VAL MG2 1 23 PHE QB 1.800 . 6.000 4.257 4.144 4.488 . 0 0 "[ . 1 . 2]" 1
191 1 13 VAL MG2 1 23 PHE QE 1.800 . 4.200 2.368 2.228 2.700 . 0 0 "[ . 1 . 2]" 1
192 1 13 VAL MG2 1 23 PHE HZ 1.800 . 6.000 2.794 2.382 3.317 . 0 0 "[ . 1 . 2]" 1
193 1 13 VAL MG2 1 89 LEU MD1 1.800 . 6.000 3.721 3.043 4.990 . 0 0 "[ . 1 . 2]" 1
194 1 14 GLU H 1 14 GLU QG 1.800 . 6.000 3.551 2.448 4.264 . 0 0 "[ . 1 . 2]" 1
195 1 14 GLU H 1 15 ALA H 1.800 . 6.000 4.352 4.214 4.548 . 0 0 "[ . 1 . 2]" 1
196 1 14 GLU H 1 15 ALA MB 1.800 . 6.000 4.348 4.191 4.795 . 0 0 "[ . 1 . 2]" 1
197 1 14 GLU HA 1 15 ALA H 1.800 . 3.500 2.180 2.127 2.416 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLU HA 1 90 THR H 1.800 . 5.000 3.542 2.817 4.049 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU HA 1 90 THR HB 1.800 . 5.000 3.325 2.348 4.433 . 0 0 "[ . 1 . 2]" 1
200 1 14 GLU QB 1 90 THR MG 1.800 . 6.000 4.429 3.395 5.330 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU QG 1 90 THR MG 1.800 . 5.000 3.698 2.433 5.082 0.082 15 0 "[ . 1 . 2]" 1
202 1 15 ALA H 1 15 ALA MB 1.800 . 6.000 2.701 2.584 2.769 . 0 0 "[ . 1 . 2]" 1
203 1 15 ALA H 1 90 THR H 1.800 . 6.000 4.543 4.138 4.922 . 0 0 "[ . 1 . 2]" 1
204 1 15 ALA H 1 90 THR HB 1.800 . 5.000 4.413 3.599 5.048 0.048 8 0 "[ . 1 . 2]" 1
205 1 15 ALA H 1 90 THR MG 1.800 . 6.000 4.688 3.541 5.722 . 0 0 "[ . 1 . 2]" 1
206 1 15 ALA H 1 91 VAL HA 1.800 . 4.200 3.115 2.866 3.468 . 0 0 "[ . 1 . 2]" 1
207 1 15 ALA H 1 91 VAL MG2 1.800 . 5.000 3.493 2.689 4.533 . 0 0 "[ . 1 . 2]" 1
208 1 15 ALA H 1 92 ARG H 1.800 . 6.000 4.213 3.535 4.500 . 0 0 "[ . 1 . 2]" 1
209 1 15 ALA HA 1 16 LEU H 1.800 . 4.200 2.240 2.149 2.482 . 0 0 "[ . 1 . 2]" 1
210 1 15 ALA MB 1 16 LEU H 1.800 . 5.000 2.805 1.979 3.159 . 0 0 "[ . 1 . 2]" 1
211 1 15 ALA MB 1 20 GLU H 1.800 . 5.000 3.176 2.687 4.009 . 0 0 "[ . 1 . 2]" 1
212 1 15 ALA MB 1 20 GLU QG 1.800 . 6.000 4.972 4.031 5.629 . 0 0 "[ . 1 . 2]" 1
213 1 15 ALA MB 1 68 LEU H 1.800 . 6.000 5.430 4.615 6.006 0.006 2 0 "[ . 1 . 2]" 1
214 1 15 ALA MB 1 89 LEU MD1 1.800 . 4.200 4.106 3.298 4.363 0.163 10 0 "[ . 1 . 2]" 1
215 1 15 ALA MB 1 91 VAL MG2 1.800 . 5.000 2.881 2.174 3.682 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU H 1 16 LEU QB 1.800 . 6.000 2.406 2.222 2.905 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU H 1 16 LEU MD1 1.800 . 6.000 3.134 1.848 4.088 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU H 1 16 LEU MD2 1.800 . 6.000 3.265 1.739 4.435 0.061 2 0 "[ . 1 . 2]" 1
219 1 16 LEU H 1 16 LEU HG 1.800 . 6.000 3.154 1.917 4.513 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU H 1 17 GLU H 1.800 . 6.000 4.599 4.329 4.648 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU H 1 20 GLU H 1.800 . 6.000 5.331 4.125 5.941 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU HA 1 19 GLY H 1.800 . 6.000 5.475 5.073 5.790 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU HA 1 19 GLY QA 1.800 . 6.000 5.244 4.762 5.700 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU HA 1 91 VAL MG1 1.800 . 5.000 3.634 3.183 4.297 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU HA 1 92 ARG H 1.800 . 5.000 2.875 2.605 3.280 . 0 0 "[ . 1 . 2]" 1
226 1 16 LEU QB 1 17 GLU H 1.800 . 5.000 2.617 2.239 3.411 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU QB 1 17 GLU QG 1.800 . 6.000 4.840 2.787 6.002 0.002 14 0 "[ . 1 . 2]" 1
228 1 16 LEU QB 1 19 GLY H 1.800 . 6.000 4.979 4.331 5.790 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU MD1 1 17 GLU H 1.800 . 6.000 4.050 1.925 5.029 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU MD2 1 17 GLU H 1.800 . 5.000 4.014 2.636 4.917 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU HG 1 17 GLU H 1.800 . 4.200 3.823 1.847 4.386 0.186 13 0 "[ . 1 . 2]" 1
232 1 17 GLU H 1 18 GLY H 1.800 . 6.000 4.610 4.501 4.669 . 0 0 "[ . 1 . 2]" 1
233 1 17 GLU H 1 18 GLY QA 1.800 . 6.000 5.482 5.402 5.629 . 0 0 "[ . 1 . 2]" 1
234 1 17 GLU H 1 91 VAL MG1 1.800 . 4.200 3.501 2.995 4.217 0.017 7 0 "[ . 1 . 2]" 1
235 1 17 GLU H 1 92 ARG H 1.800 . 4.200 3.827 3.663 4.031 . 0 0 "[ . 1 . 2]" 1
236 1 17 GLU H 1 92 ARG HA 1.800 . 5.000 5.050 4.845 5.177 0.177 16 0 "[ . 1 . 2]" 1
237 1 17 GLU H 1 92 ARG QB 1.800 . 6.000 3.766 2.689 5.130 . 0 0 "[ . 1 . 2]" 1
238 1 17 GLU H 1 92 ARG QD 1.800 . 6.000 5.631 4.367 6.201 0.201 18 0 "[ . 1 . 2]" 1
239 1 17 GLU HA 1 19 GLY H 1.800 . 6.000 3.346 3.106 3.767 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLU HA 1 91 VAL MG1 1.800 . 5.000 2.543 2.277 2.991 . 0 0 "[ . 1 . 2]" 1
241 1 17 GLU QB 1 18 GLY H 1.800 . 6.000 3.379 2.435 3.836 . 0 0 "[ . 1 . 2]" 1
242 1 17 GLU QB 1 91 VAL MG1 1.800 . 6.000 3.509 3.040 4.240 . 0 0 "[ . 1 . 2]" 1
243 1 17 GLU QB 1 92 ARG H 1.800 . 5.000 4.858 4.596 5.044 0.044 13 0 "[ . 1 . 2]" 1
244 1 17 GLU QG 1 18 GLY H 1.800 . 6.000 2.799 1.816 4.272 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLY H 1 19 GLY H 1.800 . 5.000 2.595 2.429 2.930 . 0 0 "[ . 1 . 2]" 1
246 1 18 GLY H 1 19 GLY QA 1.800 . 6.000 4.516 4.390 4.716 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLY H 1 68 LEU H 1.800 . 4.200 3.869 2.994 4.261 0.061 7 0 "[ . 1 . 2]" 1
248 1 18 GLY H 1 68 LEU HA 1.800 . 5.000 4.771 4.069 5.050 0.050 7 0 "[ . 1 . 2]" 1
249 1 18 GLY H 1 68 LEU QB 1.800 . 5.000 3.333 1.831 4.182 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLY H 1 69 ARG HA 1.800 . 5.000 3.597 2.821 4.275 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLY QA 1 19 GLY H 1.800 . 6.000 2.844 2.769 2.890 . 0 0 "[ . 1 . 2]" 1
252 1 18 GLY QA 1 19 GLY QA 1.800 . 6.000 3.808 3.776 3.827 . 0 0 "[ . 1 . 2]" 1
253 1 18 GLY QA 1 67 ASN H 1.800 . 6.000 4.282 3.952 4.741 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLY QA 1 68 LEU H 1.800 . 5.000 3.237 2.769 3.509 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLY QA 1 68 LEU HA 1.800 . 5.000 5.053 4.579 5.156 0.156 6 0 "[ . 1 . 2]" 1
256 1 19 GLY H 1 20 GLU H 1.800 . 5.000 4.380 4.173 4.513 . 0 0 "[ . 1 . 2]" 1
257 1 19 GLY H 1 67 ASN H 1.800 . 6.000 5.508 5.046 6.027 0.027 9 0 "[ . 1 . 2]" 1
258 1 19 GLY H 1 67 ASN HA 1.800 . 6.000 4.674 4.122 5.502 . 0 0 "[ . 1 . 2]" 1
259 1 19 GLY H 1 68 LEU H 1.800 . 4.200 3.279 2.924 3.726 . 0 0 "[ . 1 . 2]" 1
260 1 19 GLY H 1 68 LEU HA 1.800 . 5.000 5.000 4.882 5.101 0.101 9 0 "[ . 1 . 2]" 1
261 1 19 GLY H 1 68 LEU QB 1.800 . 5.000 2.452 2.018 3.007 . 0 0 "[ . 1 . 2]" 1
262 1 19 GLY H 1 68 LEU MD1 1.800 . 6.000 3.507 1.975 5.229 . 0 0 "[ . 1 . 2]" 1
263 1 19 GLY H 1 68 LEU MD2 1.800 . 6.000 5.005 4.042 5.395 . 0 0 "[ . 1 . 2]" 1
264 1 19 GLY H 1 68 LEU HG 1.800 . 6.000 4.185 3.216 5.827 . 0 0 "[ . 1 . 2]" 1
265 1 19 GLY QA 1 20 GLU H 1.800 . 3.500 2.253 2.195 2.289 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLY QA 1 67 ASN H 1.800 . 6.000 5.314 4.601 5.830 . 0 0 "[ . 1 . 2]" 1
267 1 19 GLY QA 1 68 LEU H 1.800 . 6.000 4.248 3.959 4.656 . 0 0 "[ . 1 . 2]" 1
268 1 20 GLU H 1 20 GLU QG 1.800 . 6.000 3.480 2.110 4.140 . 0 0 "[ . 1 . 2]" 1
269 1 20 GLU H 1 21 ALA H 1.800 . 6.000 4.456 4.392 4.548 . 0 0 "[ . 1 . 2]" 1
270 1 20 GLU H 1 68 LEU QD 1.800 . 6.000 3.241 2.824 3.995 . 0 0 "[ . 1 . 2]" 1
271 1 20 GLU HA 1 21 ALA H 1.800 . 3.500 2.381 2.221 2.620 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLU HA 1 21 ALA HA 1.800 . 5.000 4.505 4.464 4.595 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLU HA 1 21 ALA MB 1.800 . 6.000 3.880 3.759 3.960 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLU HA 1 65 LEU H 1.800 . 6.000 4.803 4.111 5.336 . 0 0 "[ . 1 . 2]" 1
275 1 20 GLU HA 1 67 ASN H 1.800 . 5.000 4.600 4.060 5.063 0.063 16 0 "[ . 1 . 2]" 1
276 1 20 GLU QB 1 21 ALA H 1.800 . 4.200 3.079 1.968 3.713 . 0 0 "[ . 1 . 2]" 1
277 1 20 GLU QG 1 21 ALA H 1.800 . 6.000 2.646 1.949 3.827 . 0 0 "[ . 1 . 2]" 1
278 1 20 GLU QG 1 22 LEU MD2 1.800 . 5.000 3.578 2.071 4.755 . 0 0 "[ . 1 . 2]" 1
279 1 20 GLU QG 1 22 LEU HG 1.800 . 4.200 3.573 2.880 4.258 0.058 6 0 "[ . 1 . 2]" 1
280 1 20 GLU QG 1 65 LEU H 1.800 . 6.000 4.338 3.336 5.970 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLU QG 1 66 LYS QG 1.800 . 5.000 3.833 2.639 5.068 0.068 16 0 "[ . 1 . 2]" 1
282 1 21 ALA H 1 21 ALA MB 1.800 . 6.000 2.581 2.482 2.720 . 0 0 "[ . 1 . 2]" 1
283 1 21 ALA H 1 22 LEU HA 1.800 . 6.000 4.839 4.735 4.939 . 0 0 "[ . 1 . 2]" 1
284 1 21 ALA H 1 22 LEU MD2 1.800 . 6.000 4.776 3.139 5.527 . 0 0 "[ . 1 . 2]" 1
285 1 21 ALA H 1 64 LEU HA 1.800 . 6.000 4.461 3.711 5.366 . 0 0 "[ . 1 . 2]" 1
286 1 21 ALA H 1 64 LEU QD 1.800 . 6.000 3.653 2.313 5.836 . 0 0 "[ . 1 . 2]" 1
287 1 21 ALA H 1 65 LEU H 1.800 . 5.000 3.028 2.143 3.772 . 0 0 "[ . 1 . 2]" 1
288 1 21 ALA H 1 65 LEU QB 1.800 . 6.000 3.466 2.501 5.349 . 0 0 "[ . 1 . 2]" 1
289 1 21 ALA H 1 65 LEU MD1 1.800 . 6.000 4.795 4.077 5.641 . 0 0 "[ . 1 . 2]" 1
290 1 21 ALA H 1 68 LEU QD 1.800 . 6.000 2.754 2.118 3.491 . 0 0 "[ . 1 . 2]" 1
291 1 21 ALA HA 1 22 LEU H 1.800 . 4.200 2.193 2.149 2.309 . 0 0 "[ . 1 . 2]" 1
292 1 21 ALA MB 1 22 LEU H 1.800 . 5.000 2.912 2.633 3.091 . 0 0 "[ . 1 . 2]" 1
293 1 21 ALA MB 1 23 PHE QE 1.800 . 4.200 2.812 2.208 3.619 . 0 0 "[ . 1 . 2]" 1
294 1 21 ALA MB 1 65 LEU H 1.800 . 5.000 3.642 2.824 4.309 . 0 0 "[ . 1 . 2]" 1
295 1 21 ALA MB 1 65 LEU MD1 1.800 . 4.200 2.905 2.017 4.123 . 0 0 "[ . 1 . 2]" 1
296 1 21 ALA MB 1 65 LEU HG 1.800 . 5.000 3.615 2.335 4.754 . 0 0 "[ . 1 . 2]" 1
297 1 21 ALA MB 1 89 LEU MD1 1.800 . 4.200 2.893 2.502 3.755 . 0 0 "[ . 1 . 2]" 1
298 1 21 ALA MB 1 89 LEU MD2 1.800 . 4.200 3.732 2.914 4.244 0.044 18 0 "[ . 1 . 2]" 1
299 1 22 LEU H 1 22 LEU QB 1.800 . 6.000 2.776 2.397 3.336 . 0 0 "[ . 1 . 2]" 1
300 1 22 LEU H 1 22 LEU MD1 1.800 . 6.000 2.650 1.781 4.103 0.019 8 0 "[ . 1 . 2]" 1
301 1 22 LEU H 1 22 LEU MD2 1.800 . 6.000 3.928 1.904 4.520 . 0 0 "[ . 1 . 2]" 1
302 1 22 LEU HA 1 23 PHE H 1.800 . 3.500 2.164 2.103 2.254 . 0 0 "[ . 1 . 2]" 1
303 1 22 LEU HA 1 64 LEU HA 1.800 . 4.200 3.238 2.915 3.685 . 0 0 "[ . 1 . 2]" 1
304 1 22 LEU HA 1 65 LEU H 1.800 . 5.000 4.209 3.477 4.807 . 0 0 "[ . 1 . 2]" 1
305 1 22 LEU QB 1 23 PHE H 1.800 . 6.000 3.263 2.744 3.745 . 0 0 "[ . 1 . 2]" 1
306 1 22 LEU QB 1 24 GLU QG 1.800 . 4.200 3.580 3.005 4.268 0.068 2 0 "[ . 1 . 2]" 1
307 1 22 LEU QD 1 23 PHE H 1.800 . 6.000 4.105 3.574 4.445 . 0 0 "[ . 1 . 2]" 1
308 1 22 LEU HG 1 23 PHE H 1.800 . 6.000 4.867 4.368 5.835 . 0 0 "[ . 1 . 2]" 1
309 1 23 PHE H 1 37 TRP HZ2 1.800 . 6.000 5.737 4.940 6.075 0.075 10 0 "[ . 1 . 2]" 1
310 1 23 PHE H 1 62 LEU HA 1.800 . 5.000 4.353 3.812 5.105 0.105 6 0 "[ . 1 . 2]" 1
311 1 23 PHE H 1 63 LEU H 1.800 . 5.000 2.861 2.469 3.454 . 0 0 "[ . 1 . 2]" 1
312 1 23 PHE H 1 63 LEU QB 1.800 . 6.000 3.205 2.545 3.838 . 0 0 "[ . 1 . 2]" 1
313 1 23 PHE H 1 63 LEU QD 1.800 . 6.000 4.212 3.556 4.745 . 0 0 "[ . 1 . 2]" 1
314 1 23 PHE H 1 64 LEU HA 1.800 . 5.000 4.379 4.089 4.650 . 0 0 "[ . 1 . 2]" 1
315 1 23 PHE HA 1 24 GLU H 1.800 . 4.200 2.204 2.161 2.269 . 0 0 "[ . 1 . 2]" 1
316 1 23 PHE QB 1 24 GLU H 1.800 . 4.200 3.644 3.571 3.766 . 0 0 "[ . 1 . 2]" 1
317 1 23 PHE QB 1 37 TRP HZ2 1.800 . 5.000 3.351 2.594 3.857 . 0 0 "[ . 1 . 2]" 1
318 1 23 PHE QB 1 63 LEU H 1.800 . 5.000 3.355 2.747 4.118 . 0 0 "[ . 1 . 2]" 1
319 1 23 PHE QB 1 76 VAL MG1 1.800 . 5.000 3.457 2.753 4.121 . 0 0 "[ . 1 . 2]" 1
320 1 23 PHE QD 1 24 GLU H 1.800 . 5.000 4.338 4.071 4.724 . 0 0 "[ . 1 . 2]" 1
321 1 23 PHE QD 1 76 VAL MG1 1.800 . 4.200 3.402 2.486 3.922 . 0 0 "[ . 1 . 2]" 1
322 1 23 PHE QD 1 76 VAL MG2 1.800 . 4.200 3.880 3.099 4.269 0.069 9 0 "[ . 1 . 2]" 1
323 1 23 PHE QD 1 87 ALA MB 1.800 . 6.000 3.628 3.090 3.892 . 0 0 "[ . 1 . 2]" 1
324 1 23 PHE QE 1 63 LEU MD2 1.800 . 6.000 4.517 3.329 5.315 . 0 0 "[ . 1 . 2]" 1
325 1 23 PHE QE 1 65 LEU MD1 1.800 . 6.000 3.243 2.375 5.033 . 0 0 "[ . 1 . 2]" 1
326 1 23 PHE QE 1 76 VAL MG1 1.800 . 4.200 3.604 3.191 3.990 . 0 0 "[ . 1 . 2]" 1
327 1 23 PHE QE 1 87 ALA MB 1.800 . 4.200 2.593 2.255 2.867 . 0 0 "[ . 1 . 2]" 1
328 1 23 PHE QE 1 89 LEU MD1 1.800 . 5.000 2.780 2.165 4.321 . 0 0 "[ . 1 . 2]" 1
329 1 24 GLU H 1 24 GLU QG 1.800 . 6.000 2.790 2.023 3.571 . 0 0 "[ . 1 . 2]" 1
330 1 24 GLU HA 1 25 CYS H 1.800 . 3.500 2.155 2.087 2.287 . 0 0 "[ . 1 . 2]" 1
331 1 24 GLU HA 1 62 LEU HA 1.800 . 4.200 3.019 2.476 3.356 . 0 0 "[ . 1 . 2]" 1
332 1 24 GLU HA 1 63 LEU H 1.800 . 5.000 4.251 3.496 4.788 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLU QB 1 25 CYS H 1.800 . 4.200 3.261 2.548 3.573 . 0 0 "[ . 1 . 2]" 1
334 1 24 GLU QB 1 62 LEU QB 1.800 . 6.000 4.801 2.448 5.798 . 0 0 "[ . 1 . 2]" 1
335 1 24 GLU QG 1 25 CYS H 1.800 . 5.000 3.960 3.487 4.179 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLU QG 1 60 ARG QB 1.800 . 6.000 5.325 4.326 6.124 0.124 2 0 "[ . 1 . 2]" 1
337 1 24 GLU QG 1 60 ARG QD 1.800 . 6.000 5.050 3.413 6.101 0.101 6 0 "[ . 1 . 2]" 1
338 1 24 GLU QG 1 60 ARG QG 1.800 . 6.000 5.137 3.737 6.091 0.091 14 0 "[ . 1 . 2]" 1
339 1 24 GLU QG 1 61 HIS H 1.800 . 6.000 5.704 4.942 6.091 0.091 13 0 "[ . 1 . 2]" 1
340 1 24 GLU QG 1 62 LEU MD1 1.800 . 6.000 3.285 2.167 5.465 . 0 0 "[ . 1 . 2]" 1
341 1 25 CYS H 1 37 TRP HH2 1.800 . 5.000 4.890 4.162 5.117 0.117 6 0 "[ . 1 . 2]" 1
342 1 25 CYS H 1 60 ARG HA 1.800 . 6.000 4.730 4.078 5.205 . 0 0 "[ . 1 . 2]" 1
343 1 25 CYS H 1 61 HIS H 1.800 . 5.000 3.391 2.899 4.258 . 0 0 "[ . 1 . 2]" 1
344 1 25 CYS H 1 61 HIS QB 1.800 . 5.000 3.543 3.012 4.228 . 0 0 "[ . 1 . 2]" 1
345 1 25 CYS H 1 62 LEU HA 1.800 . 6.000 4.143 3.788 4.508 . 0 0 "[ . 1 . 2]" 1
346 1 25 CYS HA 1 26 GLN H 1.800 . 3.500 2.225 2.121 2.366 . 0 0 "[ . 1 . 2]" 1
347 1 25 CYS QB 1 26 GLN H 1.800 . 5.000 3.175 2.465 3.909 . 0 0 "[ . 1 . 2]" 1
348 1 25 CYS QB 1 61 HIS H 1.800 . 5.000 4.228 3.526 5.063 0.063 5 0 "[ . 1 . 2]" 1
349 1 25 CYS QB 1 61 HIS QB 1.800 . 6.000 3.363 2.395 4.883 . 0 0 "[ . 1 . 2]" 1
350 1 25 CYS QB 1 78 PHE QB 1.800 . 6.000 4.704 4.127 5.222 . 0 0 "[ . 1 . 2]" 1
351 1 25 CYS QB 1 78 PHE QD 1.800 . 5.000 3.934 3.367 4.613 . 0 0 "[ . 1 . 2]" 1
352 1 25 CYS QB 1 78 PHE QE 1.800 . 5.000 4.107 3.272 4.834 . 0 0 "[ . 1 . 2]" 1
353 1 25 CYS QB 1 85 THR MG 1.800 . 5.000 3.906 3.122 4.813 . 0 0 "[ . 1 . 2]" 1
354 1 26 GLN H 1 26 GLN QG 1.800 . 6.000 3.077 2.463 4.123 . 0 0 "[ . 1 . 2]" 1
355 1 26 GLN HA 1 27 LEU H 1.800 . 4.200 2.173 2.101 2.348 . 0 0 "[ . 1 . 2]" 1
356 1 26 GLN HA 1 60 ARG HA 1.800 . 4.200 2.997 2.717 3.382 . 0 0 "[ . 1 . 2]" 1
357 1 26 GLN HA 1 61 HIS H 1.800 . 5.000 4.014 3.524 4.615 . 0 0 "[ . 1 . 2]" 1
358 1 26 GLN QB 1 27 LEU H 1.800 . 6.000 3.419 2.658 3.979 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLN QB 1 60 ARG QB 1.800 . 6.000 5.262 4.308 5.748 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLN QB 1 60 ARG QD 1.800 . 6.000 5.320 4.095 6.078 0.078 2 0 "[ . 1 . 2]" 1
361 1 26 GLN QB 1 60 ARG QG 1.800 . 6.000 4.114 3.035 5.887 . 0 0 "[ . 1 . 2]" 1
362 1 26 GLN QG 1 27 LEU H 1.800 . 5.000 3.834 2.044 4.748 . 0 0 "[ . 1 . 2]" 1
363 1 26 GLN QG 1 60 ARG QB 1.800 . 6.000 4.284 2.730 6.040 0.040 8 0 "[ . 1 . 2]" 1
364 1 26 GLN QG 1 60 ARG QD 1.800 . 6.000 4.162 2.341 5.828 . 0 0 "[ . 1 . 2]" 1
365 1 26 GLN QG 1 60 ARG QG 1.800 . 6.000 3.009 2.240 4.424 . 0 0 "[ . 1 . 2]" 1
366 1 27 LEU H 1 27 LEU QB 1.800 . 6.000 2.757 2.237 3.339 . 0 0 "[ . 1 . 2]" 1
367 1 27 LEU H 1 27 LEU MD1 1.800 . 6.000 3.351 1.762 4.538 0.038 7 0 "[ . 1 . 2]" 1
368 1 27 LEU H 1 27 LEU MD2 1.800 . 6.000 3.354 1.756 4.364 0.044 20 0 "[ . 1 . 2]" 1
369 1 27 LEU H 1 27 LEU HG 1.800 . 6.000 3.809 2.261 4.597 . 0 0 "[ . 1 . 2]" 1
370 1 27 LEU H 1 59 LEU HA 1.800 . 6.000 3.963 3.190 4.691 . 0 0 "[ . 1 . 2]" 1
371 1 27 LEU H 1 60 ARG HA 1.800 . 6.000 3.709 2.959 4.251 . 0 0 "[ . 1 . 2]" 1
372 1 27 LEU H 1 61 HIS HD1 1.800 . 5.000 4.365 3.388 5.062 0.062 6 0 "[ . 1 . 2]" 1
373 1 27 LEU HA 1 28 SER H 1.800 . 4.200 2.294 2.118 2.672 . 0 0 "[ . 1 . 2]" 1
374 1 27 LEU QB 1 28 SER H 1.800 . 5.000 3.010 1.803 3.742 . 0 0 "[ . 1 . 2]" 1
375 1 27 LEU QB 1 29 GLN H 1.800 . 6.000 4.523 3.770 5.348 . 0 0 "[ . 1 . 2]" 1
376 1 27 LEU QD 1 31 GLU H 1.800 . 6.000 5.192 4.215 6.173 0.173 8 0 "[ . 1 . 2]" 1
377 1 27 LEU MD1 1 28 SER H 1.800 . 6.000 4.136 2.820 4.897 . 0 0 "[ . 1 . 2]" 1
378 1 27 LEU MD1 1 61 HIS H 1.800 . 6.000 5.077 3.081 6.093 0.093 10 0 "[ . 1 . 2]" 1
379 1 27 LEU MD1 1 80 ALA MB 1.800 . 5.000 3.198 2.011 4.875 . 0 0 "[ . 1 . 2]" 1
380 1 27 LEU MD1 1 83 MET ME 1.800 . 5.000 3.089 1.990 4.217 . 0 0 "[ . 1 . 2]" 1
381 1 27 LEU MD2 1 28 SER H 1.800 . 6.000 3.409 2.186 4.171 . 0 0 "[ . 1 . 2]" 1
382 1 27 LEU MD2 1 28 SER HA 1.800 . 5.000 4.121 3.185 5.222 0.222 6 0 "[ . 1 . 2]" 1
383 1 27 LEU MD2 1 83 MET ME 1.800 . 6.000 3.037 1.912 4.268 . 0 0 "[ . 1 . 2]" 1
384 1 27 LEU HG 1 28 SER H 1.800 . 5.000 3.770 2.437 5.052 0.052 19 0 "[ . 1 . 2]" 1
385 1 28 SER H 1 29 GLN H 1.800 . 6.000 4.059 3.819 4.197 . 0 0 "[ . 1 . 2]" 1
386 1 28 SER H 1 29 GLN HA 1.800 . 6.000 5.538 5.233 5.704 . 0 0 "[ . 1 . 2]" 1
387 1 28 SER HA 1 29 GLN H 1.800 . 4.200 2.206 2.127 2.279 . 0 0 "[ . 1 . 2]" 1
388 1 28 SER HA 1 83 MET ME 1.800 . 6.000 5.423 4.486 5.825 . 0 0 "[ . 1 . 2]" 1
389 1 28 SER QB 1 29 GLN H 1.800 . 6.000 3.890 3.645 4.022 . 0 0 "[ . 1 . 2]" 1
390 1 29 GLN H 1 29 GLN QG 1.800 . 6.000 3.720 2.529 4.623 . 0 0 "[ . 1 . 2]" 1
391 1 29 GLN H 1 59 LEU QD 1.800 . 6.000 2.607 1.845 3.891 . 0 0 "[ . 1 . 2]" 1
392 1 30 PRO HA 1 30 PRO QD 1.800 . 6.000 3.446 3.358 3.494 . 0 0 "[ . 1 . 2]" 1
393 1 30 PRO HA 1 57 ASN QB 1.800 . 4.200 3.787 3.142 4.276 0.076 18 0 "[ . 1 . 2]" 1
394 1 30 PRO HA 1 59 LEU MD1 1.800 . 5.000 3.528 2.307 4.717 . 0 0 "[ . 1 . 2]" 1
395 1 30 PRO QB 1 59 LEU H 1.800 . 6.000 5.903 5.534 6.050 0.050 3 0 "[ . 1 . 2]" 1
396 1 30 PRO QB 1 59 LEU QB 1.800 . 6.000 4.998 4.081 5.817 . 0 0 "[ . 1 . 2]" 1
397 1 30 PRO QB 1 59 LEU MD1 1.800 . 5.000 3.815 2.693 5.066 0.066 14 0 "[ . 1 . 2]" 1
398 1 30 PRO QD 1 31 GLU H 1.800 . 4.200 3.052 2.538 3.711 . 0 0 "[ . 1 . 2]" 1
399 1 30 PRO QD 1 59 LEU MD1 1.800 . 5.000 3.993 2.828 5.095 0.095 5 0 "[ . 1 . 2]" 1
400 1 30 PRO QG 1 31 GLU H 1.800 . 6.000 4.100 3.427 4.719 . 0 0 "[ . 1 . 2]" 1
401 1 30 PRO QG 1 59 LEU MD1 1.800 . 5.000 3.877 2.711 4.948 . 0 0 "[ . 1 . 2]" 1
402 1 31 GLU H 1 31 GLU QG 1.800 . 6.000 3.496 1.909 4.328 . 0 0 "[ . 1 . 2]" 1
403 1 31 GLU H 1 32 VAL H 1.800 . 6.000 4.317 4.178 4.529 . 0 0 "[ . 1 . 2]" 1
404 1 31 GLU H 1 32 VAL HA 1.800 . 6.000 4.797 4.463 5.525 . 0 0 "[ . 1 . 2]" 1
405 1 31 GLU H 1 32 VAL HB 1.800 . 6.000 5.507 4.440 6.208 0.208 6 0 "[ . 1 . 2]" 1
406 1 31 GLU H 1 32 VAL MG1 1.800 . 6.000 4.661 3.505 6.134 0.134 16 0 "[ . 1 . 2]" 1
407 1 31 GLU H 1 32 VAL MG2 1.800 . 6.000 5.719 3.942 6.274 0.274 9 0 "[ . 1 . 2]" 1
408 1 31 GLU HA 1 32 VAL H 1.800 . 3.500 2.321 2.130 2.724 . 0 0 "[ . 1 . 2]" 1
409 1 31 GLU QG 1 33 ALA H 1.800 . 6.000 4.466 3.732 6.008 0.008 18 0 "[ . 1 . 2]" 1
410 1 32 VAL H 1 32 VAL MG1 1.800 . 6.000 2.471 1.783 3.848 0.017 9 0 "[ . 1 . 2]" 1
411 1 32 VAL H 1 32 VAL MG2 1.800 . 6.000 3.330 2.213 4.078 . 0 0 "[ . 1 . 2]" 1
412 1 32 VAL H 1 33 ALA H 1.800 . 5.000 4.102 3.479 4.546 . 0 0 "[ . 1 . 2]" 1
413 1 32 VAL H 1 33 ALA MB 1.800 . 6.000 4.876 4.103 5.651 . 0 0 "[ . 1 . 2]" 1
414 1 32 VAL H 1 34 ALA H 1.800 . 6.000 5.715 4.957 6.152 0.152 20 0 "[ . 1 . 2]" 1
415 1 32 VAL H 1 35 HIS HE1 1.800 . 6.000 5.679 4.884 6.139 0.139 17 0 "[ . 1 . 2]" 1
416 1 32 VAL HA 1 32 VAL MG1 1.800 . 4.200 2.907 2.370 3.227 . 0 0 "[ . 1 . 2]" 1
417 1 32 VAL HB 1 33 ALA H 1.800 . 6.000 3.976 2.345 4.499 . 0 0 "[ . 1 . 2]" 1
418 1 32 VAL QG 1 33 ALA H 1.800 . 6.000 2.939 1.955 3.614 . 0 0 "[ . 1 . 2]" 1
419 1 32 VAL MG1 1 54 PHE HZ 1.800 . 5.000 4.786 3.909 5.150 0.150 3 0 "[ . 1 . 2]" 1
420 1 33 ALA H 1 33 ALA MB 1.800 . 4.200 2.325 2.216 2.433 . 0 0 "[ . 1 . 2]" 1
421 1 33 ALA H 1 34 ALA H 1.800 . 6.000 2.240 1.872 2.699 . 0 0 "[ . 1 . 2]" 1
422 1 33 ALA HA 1 34 ALA H 1.800 . 4.200 3.469 3.262 3.591 . 0 0 "[ . 1 . 2]" 1
423 1 33 ALA HA 1 34 ALA MB 1.800 . 5.000 4.461 4.262 4.808 . 0 0 "[ . 1 . 2]" 1
424 1 34 ALA H 1 34 ALA MB 1.800 . 6.000 2.735 2.385 2.866 . 0 0 "[ . 1 . 2]" 1
425 1 34 ALA MB 1 81 GLY H 1.800 . 6.000 4.599 3.464 6.037 0.037 3 0 "[ . 1 . 2]" 1
426 1 34 ALA MB 1 81 GLY QA 1.800 . 6.000 4.517 3.351 6.593 0.593 19 1 "[ . 1 . +2]" 1
427 1 35 HIS HA 1 36 THR H 1.800 . 3.500 2.201 2.127 2.452 . 0 0 "[ . 1 . 2]" 1
428 1 35 HIS HA 1 80 ALA HA 1.800 . 4.200 2.927 2.328 3.473 . 0 0 "[ . 1 . 2]" 1
429 1 35 HIS HA 1 81 GLY H 1.800 . 6.000 3.732 2.857 4.452 . 0 0 "[ . 1 . 2]" 1
430 1 35 HIS QB 1 36 THR H 1.800 . 4.200 3.051 2.533 3.238 . 0 0 "[ . 1 . 2]" 1
431 1 35 HIS QB 1 78 PHE HZ 1.800 . 5.000 3.835 2.684 4.999 . 0 0 "[ . 1 . 2]" 1
432 1 35 HIS QB 1 79 LEU H 1.800 . 6.000 5.306 4.469 6.102 0.102 9 0 "[ . 1 . 2]" 1
433 1 35 HIS QB 1 80 ALA HA 1.800 . 5.000 3.461 2.514 4.472 . 0 0 "[ . 1 . 2]" 1
434 1 35 HIS QB 1 80 ALA MB 1.800 . 6.000 3.329 2.482 4.334 . 0 0 "[ . 1 . 2]" 1
435 1 36 THR H 1 78 PHE QE 1.800 . 6.000 4.490 3.669 5.526 . 0 0 "[ . 1 . 2]" 1
436 1 36 THR H 1 79 LEU H 1.800 . 5.000 3.803 3.330 4.226 . 0 0 "[ . 1 . 2]" 1
437 1 36 THR H 1 79 LEU MD1 1.800 . 5.000 4.981 3.199 5.166 0.166 16 0 "[ . 1 . 2]" 1
438 1 36 THR H 1 79 LEU MD2 1.800 . 5.000 4.218 3.165 5.108 0.108 9 0 "[ . 1 . 2]" 1
439 1 36 THR H 1 80 ALA HA 1.800 . 5.000 3.698 3.170 4.541 . 0 0 "[ . 1 . 2]" 1
440 1 36 THR HA 1 37 TRP H 1.800 . 3.500 2.168 2.092 2.255 . 0 0 "[ . 1 . 2]" 1
441 1 36 THR HB 1 37 TRP H 1.800 . 6.000 4.174 3.249 4.478 . 0 0 "[ . 1 . 2]" 1
442 1 36 THR HB 1 79 LEU H 1.800 . 5.000 4.190 3.257 5.066 0.066 10 0 "[ . 1 . 2]" 1
443 1 36 THR HB 1 79 LEU QB 1.800 . 5.000 3.005 2.314 4.985 . 0 0 "[ . 1 . 2]" 1
444 1 36 THR HB 1 79 LEU MD2 1.800 . 5.000 3.608 2.782 4.982 . 0 0 "[ . 1 . 2]" 1
445 1 36 THR MG 1 37 TRP H 1.800 . 4.200 2.906 2.432 4.087 . 0 0 "[ . 1 . 2]" 1
446 1 36 THR MG 1 38 LEU QD 1.800 . 6.000 2.562 2.143 4.217 . 0 0 "[ . 1 . 2]" 1
447 1 37 TRP H 1 38 LEU MD2 1.800 . 6.000 4.064 3.721 4.392 . 0 0 "[ . 1 . 2]" 1
448 1 37 TRP H 1 44 VAL H 1.800 . 6.000 5.317 4.770 5.718 . 0 0 "[ . 1 . 2]" 1
449 1 37 TRP H 1 44 VAL QG 1.800 . 6.000 4.160 3.796 4.630 . 0 0 "[ . 1 . 2]" 1
450 1 37 TRP H 1 52 VAL QG 1.800 . 6.000 5.528 4.838 6.028 0.028 12 0 "[ . 1 . 2]" 1
451 1 37 TRP HA 1 38 LEU H 1.800 . 3.500 2.173 2.080 2.344 . 0 0 "[ . 1 . 2]" 1
452 1 37 TRP HA 1 77 THR H 1.800 . 6.000 5.620 5.038 6.045 0.045 11 0 "[ . 1 . 2]" 1
453 1 37 TRP HA 1 78 PHE HA 1.800 . 5.000 2.695 2.526 2.960 . 0 0 "[ . 1 . 2]" 1
454 1 37 TRP HA 1 79 LEU H 1.800 . 6.000 3.275 2.807 3.740 . 0 0 "[ . 1 . 2]" 1
455 1 37 TRP QB 1 38 LEU H 1.800 . 5.000 3.807 3.449 3.964 . 0 0 "[ . 1 . 2]" 1
456 1 37 TRP QB 1 39 LEU MD2 1.800 . 6.000 5.156 4.361 5.732 . 0 0 "[ . 1 . 2]" 1
457 1 37 TRP QB 1 44 VAL H 1.800 . 5.000 3.977 3.482 4.472 . 0 0 "[ . 1 . 2]" 1
458 1 37 TRP QB 1 44 VAL HA 1.800 . 6.000 5.660 4.906 6.046 0.046 4 0 "[ . 1 . 2]" 1
459 1 37 TRP QB 1 44 VAL MG2 1.800 . 5.000 3.451 2.071 4.326 . 0 0 "[ . 1 . 2]" 1
460 1 37 TRP QB 1 63 LEU MD1 1.800 . 6.000 5.188 3.232 6.025 0.025 14 0 "[ . 1 . 2]" 1
461 1 37 TRP HD1 1 44 VAL QG 1.800 . 5.000 3.346 2.208 5.078 0.078 16 0 "[ . 1 . 2]" 1
462 1 37 TRP HD1 1 79 LEU H 1.800 . 6.000 5.261 4.493 6.036 0.036 7 0 "[ . 1 . 2]" 1
463 1 37 TRP HE1 1 63 LEU MD2 1.800 . 5.000 3.434 2.380 4.936 . 0 0 "[ . 1 . 2]" 1
464 1 37 TRP HZ2 1 63 LEU MD2 1.800 . 5.000 3.059 2.213 4.768 . 0 0 "[ . 1 . 2]" 1
465 1 38 LEU H 1 38 LEU QB 1.800 . 6.000 2.714 2.630 3.431 . 0 0 "[ . 1 . 2]" 1
466 1 38 LEU H 1 38 LEU MD1 1.800 . 6.000 4.108 3.197 4.372 . 0 0 "[ . 1 . 2]" 1
467 1 38 LEU H 1 38 LEU MD2 1.800 . 6.000 3.932 3.680 4.111 . 0 0 "[ . 1 . 2]" 1
468 1 38 LEU H 1 38 LEU HG 1.800 . 6.000 3.074 2.499 3.445 . 0 0 "[ . 1 . 2]" 1
469 1 38 LEU H 1 77 THR H 1.800 . 5.000 4.289 3.778 4.588 . 0 0 "[ . 1 . 2]" 1
470 1 38 LEU H 1 77 THR MG 1.800 . 6.000 4.123 2.956 5.076 . 0 0 "[ . 1 . 2]" 1
471 1 38 LEU H 1 78 PHE HA 1.800 . 6.000 3.543 3.020 3.924 . 0 0 "[ . 1 . 2]" 1
472 1 38 LEU HA 1 39 LEU H 1.800 . 3.500 2.109 2.025 2.157 . 0 0 "[ . 1 . 2]" 1
473 1 38 LEU HA 1 43 PRO HA 1.800 . 4.200 3.836 3.098 4.103 . 0 0 "[ . 1 . 2]" 1
474 1 38 LEU HA 1 44 VAL H 1.800 . 6.000 3.825 2.938 4.216 . 0 0 "[ . 1 . 2]" 1
475 1 38 LEU QB 1 39 LEU H 1.800 . 6.000 3.417 3.193 3.573 . 0 0 "[ . 1 . 2]" 1
476 1 38 LEU QB 1 42 GLU H 1.800 . 6.000 4.649 3.453 4.988 . 0 0 "[ . 1 . 2]" 1
477 1 38 LEU QB 1 77 THR H 1.800 . 6.000 4.949 4.706 5.383 . 0 0 "[ . 1 . 2]" 1
478 1 38 LEU QB 1 77 THR HB 1.800 . 6.000 4.131 3.395 6.027 0.027 12 0 "[ . 1 . 2]" 1
479 1 38 LEU QB 1 78 PHE HA 1.800 . 6.000 5.691 5.059 6.100 0.100 11 0 "[ . 1 . 2]" 1
480 1 38 LEU QD 1 43 PRO HA 1.800 . 5.000 2.357 2.156 3.661 . 0 0 "[ . 1 . 2]" 1
481 1 38 LEU QD 1 44 VAL H 1.800 . 6.400 3.236 2.781 4.803 . 0 0 "[ . 1 . 2]" 1
482 1 38 LEU MD1 1 39 LEU H 1.800 . 6.000 5.191 4.406 5.364 . 0 0 "[ . 1 . 2]" 1
483 1 38 LEU MD1 1 42 GLU HA 1.800 . 6.000 6.081 5.984 6.151 0.151 20 0 "[ . 1 . 2]" 1
484 1 38 LEU MD2 1 39 LEU H 1.800 . 6.000 3.690 3.382 5.250 . 0 0 "[ . 1 . 2]" 1
485 1 38 LEU MD2 1 42 GLU HA 1.800 . 5.000 4.462 4.169 5.111 0.111 11 0 "[ . 1 . 2]" 1
486 1 38 LEU MD2 1 43 PRO HA 1.800 . 4.200 2.366 2.160 3.738 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU MD2 1 43 PRO QB 1.800 . 4.200 3.395 2.953 4.251 0.051 11 0 "[ . 1 . 2]" 1
488 1 38 LEU MD2 1 43 PRO QD 1.800 . 6.000 3.765 3.539 4.283 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU MD2 1 43 PRO QG 1.800 . 5.000 4.149 3.890 4.746 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU HG 1 39 LEU H 1.800 . 6.000 5.039 4.953 5.129 . 0 0 "[ . 1 . 2]" 1
491 1 38 LEU HG 1 79 LEU H 1.800 . 6.000 6.013 5.084 6.118 0.118 7 0 "[ . 1 . 2]" 1
492 1 39 LEU H 1 39 LEU QB 1.800 . 6.000 3.032 3.006 3.083 . 0 0 "[ . 1 . 2]" 1
493 1 39 LEU H 1 39 LEU MD1 1.800 . 6.000 1.869 1.758 2.090 0.042 9 0 "[ . 1 . 2]" 1
494 1 39 LEU H 1 39 LEU MD2 1.800 . 6.000 3.523 3.480 3.565 . 0 0 "[ . 1 . 2]" 1
495 1 39 LEU H 1 39 LEU HG 1.800 . 6.000 1.839 1.777 1.935 0.023 16 0 "[ . 1 . 2]" 1
496 1 39 LEU H 1 40 ASP H 1.800 . 5.000 3.386 3.219 3.506 . 0 0 "[ . 1 . 2]" 1
497 1 39 LEU H 1 41 ASP H 1.800 . 6.000 6.209 6.113 6.275 0.275 18 0 "[ . 1 . 2]" 1
498 1 39 LEU H 1 41 ASP HA 1.800 . 6.000 5.497 5.366 5.709 . 0 0 "[ . 1 . 2]" 1
499 1 39 LEU H 1 42 GLU H 1.800 . 5.000 4.229 4.029 4.398 . 0 0 "[ . 1 . 2]" 1
500 1 39 LEU H 1 42 GLU QB 1.800 . 6.000 5.509 5.276 6.129 0.129 5 0 "[ . 1 . 2]" 1
501 1 39 LEU H 1 43 PRO HA 1.800 . 5.000 4.907 4.527 5.127 0.127 10 0 "[ . 1 . 2]" 1
502 1 39 LEU H 1 44 VAL H 1.800 . 6.000 4.565 4.179 4.964 . 0 0 "[ . 1 . 2]" 1
503 1 39 LEU HA 1 40 ASP H 1.800 . 4.200 3.433 3.410 3.479 . 0 0 "[ . 1 . 2]" 1
504 1 39 LEU HA 1 76 VAL HA 1.800 . 5.000 2.377 2.272 2.690 . 0 0 "[ . 1 . 2]" 1
505 1 39 LEU HA 1 76 VAL MG1 1.800 . 5.000 3.779 3.515 4.082 . 0 0 "[ . 1 . 2]" 1
506 1 39 LEU HA 1 76 VAL MG2 1.800 . 5.000 4.037 3.754 4.502 . 0 0 "[ . 1 . 2]" 1
507 1 39 LEU HA 1 77 THR H 1.800 . 6.000 2.263 1.872 2.779 . 0 0 "[ . 1 . 2]" 1
508 1 39 LEU QB 1 40 ASP H 1.800 . 4.200 1.709 1.689 1.736 0.111 15 0 "[ . 1 . 2]" 1
509 1 39 LEU QB 1 42 GLU H 1.800 . 5.000 5.264 5.198 5.334 0.334 11 0 "[ . 1 . 2]" 1
510 1 39 LEU MD1 1 40 ASP H 1.800 . 6.000 1.730 1.665 1.857 0.135 16 0 "[ . 1 . 2]" 1
511 1 39 LEU MD1 1 41 ASP H 1.800 . 6.000 4.698 4.588 4.972 . 0 0 "[ . 1 . 2]" 1
512 1 39 LEU MD1 1 42 GLU H 1.800 . 6.000 2.939 2.783 3.328 . 0 0 "[ . 1 . 2]" 1
513 1 39 LEU MD1 1 44 VAL H 1.800 . 6.000 3.946 3.613 4.406 . 0 0 "[ . 1 . 2]" 1
514 1 39 LEU MD1 1 44 VAL HA 1.800 . 6.000 3.103 2.636 3.606 . 0 0 "[ . 1 . 2]" 1
515 1 39 LEU MD1 1 44 VAL MG2 1.800 . 4.200 2.757 2.133 3.350 . 0 0 "[ . 1 . 2]" 1
516 1 39 LEU MD1 1 52 VAL MG2 1.800 . 6.000 5.398 5.202 5.599 . 0 0 "[ . 1 . 2]" 1
517 1 39 LEU MD1 1 63 LEU MD1 1.800 . 6.000 4.793 4.187 5.363 . 0 0 "[ . 1 . 2]" 1
518 1 39 LEU MD1 1 65 LEU MD1 1.800 . 5.000 4.658 3.829 5.121 0.121 5 0 "[ . 1 . 2]" 1
519 1 39 LEU MD1 1 77 THR H 1.800 . 6.000 5.185 4.991 5.433 . 0 0 "[ . 1 . 2]" 1
520 1 39 LEU MD2 1 40 ASP H 1.800 . 6.000 3.271 3.062 3.425 . 0 0 "[ . 1 . 2]" 1
521 1 39 LEU MD2 1 44 VAL H 1.800 . 5.000 4.878 4.600 5.089 0.089 20 0 "[ . 1 . 2]" 1
522 1 39 LEU MD2 1 44 VAL HA 1.800 . 6.000 3.596 3.327 3.835 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU MD2 1 44 VAL MG1 1.800 . 5.000 2.914 2.085 3.757 . 0 0 "[ . 1 . 2]" 1
524 1 39 LEU MD2 1 44 VAL MG2 1.800 . 5.000 2.139 1.953 2.525 . 0 0 "[ . 1 . 2]" 1
525 1 39 LEU MD2 1 52 VAL MG2 1.800 . 4.200 4.337 4.221 4.460 0.260 3 0 "[ . 1 . 2]" 1
526 1 39 LEU MD2 1 63 LEU MD1 1.800 . 4.200 3.032 2.104 3.544 . 0 0 "[ . 1 . 2]" 1
527 1 39 LEU MD2 1 65 LEU MD1 1.800 . 5.000 3.048 1.955 3.949 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU MD2 1 76 VAL MG2 1.800 . 4.200 3.312 2.863 3.916 . 0 0 "[ . 1 . 2]" 1
529 1 40 ASP H 1 41 ASP H 1.800 . 6.000 4.575 4.547 4.610 . 0 0 "[ . 1 . 2]" 1
530 1 40 ASP H 1 74 CYS QB 1.800 . 6.000 4.351 3.527 5.794 . 0 0 "[ . 1 . 2]" 1
531 1 40 ASP H 1 75 ARG H 1.800 . 6.000 5.290 4.536 5.763 . 0 0 "[ . 1 . 2]" 1
532 1 40 ASP H 1 75 ARG QB 1.800 . 6.000 5.629 4.937 6.088 0.088 7 0 "[ . 1 . 2]" 1
533 1 40 ASP H 1 76 VAL HA 1.800 . 5.000 4.659 4.185 5.020 0.020 19 0 "[ . 1 . 2]" 1
534 1 40 ASP H 1 76 VAL MG2 1.800 . 6.000 4.623 4.071 5.305 . 0 0 "[ . 1 . 2]" 1
535 1 40 ASP HA 1 75 ARG H 1.800 . 6.000 4.126 3.118 4.650 . 0 0 "[ . 1 . 2]" 1
536 1 40 ASP HA 1 75 ARG QB 1.800 . 6.000 4.492 3.504 5.462 . 0 0 "[ . 1 . 2]" 1
537 1 40 ASP HA 1 75 ARG QD 1.800 . 6.000 6.123 5.790 6.264 0.264 20 0 "[ . 1 . 2]" 1
538 1 40 ASP HA 1 75 ARG QG 1.800 . 6.000 5.857 4.755 6.168 0.168 15 0 "[ . 1 . 2]" 1
539 1 40 ASP QB 1 42 GLU H 1.800 . 4.200 3.226 2.814 3.840 . 0 0 "[ . 1 . 2]" 1
540 1 40 ASP QB 1 42 GLU QB 1.800 . 6.000 3.316 2.768 4.063 . 0 0 "[ . 1 . 2]" 1
541 1 40 ASP QB 1 71 GLN QG 1.800 . 6.000 6.072 5.759 6.195 0.195 6 0 "[ . 1 . 2]" 1
542 1 40 ASP QB 1 72 ASP HA 1.800 . 5.000 4.883 4.370 5.039 0.039 2 0 "[ . 1 . 2]" 1
543 1 40 ASP QB 1 72 ASP QB 1.800 . 6.000 5.724 4.979 6.050 0.050 11 0 "[ . 1 . 2]" 1
544 1 40 ASP QB 1 74 CYS QB 1.800 . 6.000 3.312 2.268 4.442 . 0 0 "[ . 1 . 2]" 1
545 1 40 ASP QB 1 75 ARG H 1.800 . 6.000 4.912 3.875 5.616 . 0 0 "[ . 1 . 2]" 1
546 1 41 ASP H 1 42 GLU H 1.800 . 3.500 3.350 3.247 3.558 0.058 20 0 "[ . 1 . 2]" 1
547 1 41 ASP H 1 42 GLU QB 1.800 . 6.000 4.800 4.666 4.915 . 0 0 "[ . 1 . 2]" 1
548 1 41 ASP HA 1 42 GLU H 1.800 . 6.000 2.901 2.781 2.988 . 0 0 "[ . 1 . 2]" 1
549 1 41 ASP QB 1 42 GLU H 1.800 . 6.000 3.950 3.826 4.110 . 0 0 "[ . 1 . 2]" 1
550 1 42 GLU QB 1 46 THR HB 1.800 . 6.000 6.074 4.188 6.285 0.285 17 0 "[ . 1 . 2]" 1
551 1 42 GLU QB 1 46 THR MG 1.800 . 6.000 3.808 3.654 3.990 . 0 0 "[ . 1 . 2]" 1
552 1 42 GLU QG 1 43 PRO QD 1.800 . 6.000 3.194 2.810 3.837 . 0 0 "[ . 1 . 2]" 1
553 1 42 GLU QG 1 43 PRO QG 1.800 . 5.000 4.934 4.561 5.091 0.091 2 0 "[ . 1 . 2]" 1
554 1 43 PRO HA 1 43 PRO QD 1.800 . 6.000 3.317 3.243 3.376 . 0 0 "[ . 1 . 2]" 1
555 1 43 PRO HA 1 44 VAL H 1.800 . 3.500 2.250 2.201 2.311 . 0 0 "[ . 1 . 2]" 1
556 1 43 PRO QB 1 44 VAL H 1.800 . 4.200 3.217 3.116 3.324 . 0 0 "[ . 1 . 2]" 1
557 1 43 PRO QB 1 44 VAL HA 1.800 . 6.000 4.483 4.424 4.585 . 0 0 "[ . 1 . 2]" 1
558 1 43 PRO QD 1 44 VAL H 1.800 . 6.000 5.043 4.991 5.088 . 0 0 "[ . 1 . 2]" 1
559 1 43 PRO QG 1 44 VAL H 1.800 . 6.000 4.876 4.813 4.936 . 0 0 "[ . 1 . 2]" 1
560 1 44 VAL H 1 44 VAL MG1 1.800 . 6.000 2.609 1.773 3.815 0.027 6 0 "[ . 1 . 2]" 1
561 1 44 VAL H 1 44 VAL MG2 1.800 . 6.000 3.069 1.853 3.801 . 0 0 "[ . 1 . 2]" 1
562 1 44 VAL H 1 45 ARG H 1.800 . 6.000 3.984 3.912 4.064 . 0 0 "[ . 1 . 2]" 1
563 1 44 VAL H 1 52 VAL MG2 1.800 . 6.000 4.565 3.991 5.113 . 0 0 "[ . 1 . 2]" 1
564 1 44 VAL HA 1 45 ARG H 1.800 . 4.200 2.217 2.142 2.343 . 0 0 "[ . 1 . 2]" 1
565 1 44 VAL HB 1 45 ARG H 1.800 . 6.000 4.426 4.323 4.521 . 0 0 "[ . 1 . 2]" 1
566 1 44 VAL MG1 1 45 ARG H 1.800 . 6.000 3.911 3.412 4.230 . 0 0 "[ . 1 . 2]" 1
567 1 44 VAL MG1 1 46 THR MG 1.800 . 6.000 4.699 3.871 5.282 . 0 0 "[ . 1 . 2]" 1
568 1 44 VAL MG2 1 45 ARG H 1.800 . 5.000 3.825 3.427 4.344 . 0 0 "[ . 1 . 2]" 1
569 1 44 VAL MG2 1 46 THR MG 1.800 . 6.000 4.282 3.557 4.903 . 0 0 "[ . 1 . 2]" 1
570 1 44 VAL MG2 1 63 LEU MD1 1.800 . 4.200 2.701 1.957 4.078 . 0 0 "[ . 1 . 2]" 1
571 1 44 VAL MG2 1 63 LEU MD2 1.800 . 4.200 2.669 1.947 4.215 0.015 13 0 "[ . 1 . 2]" 1
572 1 44 VAL MG2 1 65 LEU MD2 1.800 . 5.000 4.057 2.092 5.088 0.088 3 0 "[ . 1 . 2]" 1
573 1 45 ARG H 1 45 ARG QD 1.800 . 6.000 4.812 4.396 5.291 . 0 0 "[ . 1 . 2]" 1
574 1 45 ARG H 1 45 ARG QG 1.800 . 6.000 3.742 3.309 4.142 . 0 0 "[ . 1 . 2]" 1
575 1 45 ARG H 1 50 ALA MB 1.800 . 6.000 4.135 3.737 4.509 . 0 0 "[ . 1 . 2]" 1
576 1 45 ARG HA 1 46 THR H 1.800 . 3.500 3.472 3.432 3.518 0.018 19 0 "[ . 1 . 2]" 1
577 1 45 ARG HA 1 51 GLU QB 1.800 . 5.000 4.065 2.998 4.492 . 0 0 "[ . 1 . 2]" 1
578 1 45 ARG HA 1 51 GLU QG 1.800 . 5.000 3.299 2.310 5.108 0.108 20 0 "[ . 1 . 2]" 1
579 1 45 ARG QB 1 46 THR H 1.800 . 6.000 1.816 1.738 2.070 0.062 13 0 "[ . 1 . 2]" 1
580 1 45 ARG QB 1 52 VAL H 1.800 . 5.000 4.848 4.480 5.214 0.214 2 0 "[ . 1 . 2]" 1
581 1 45 ARG QD 1 46 THR H 1.800 . 6.000 4.225 3.622 4.689 . 0 0 "[ . 1 . 2]" 1
582 1 45 ARG QD 1 52 VAL H 1.800 . 5.000 4.396 3.292 5.311 0.311 16 0 "[ . 1 . 2]" 1
583 1 45 ARG HD2 1 46 THR H 1.800 . 6.000 4.767 4.310 5.584 . 0 0 "[ . 1 . 2]" 1
584 1 45 ARG QG 1 46 THR H 1.800 . 6.000 3.136 2.211 3.921 . 0 0 "[ . 1 . 2]" 1
585 1 46 THR H 1 46 THR MG 1.800 . 6.000 2.440 2.387 2.568 . 0 0 "[ . 1 . 2]" 1
586 1 46 THR H 1 52 VAL MG2 1.800 . 6.000 6.123 5.981 6.279 0.279 7 0 "[ . 1 . 2]" 1
587 1 46 THR HA 1 47 SER H 1.800 . 3.500 3.289 3.177 3.605 0.105 7 0 "[ . 1 . 2]" 1
588 1 46 THR HB 1 47 SER H 1.800 . 6.000 2.466 2.259 4.045 . 0 0 "[ . 1 . 2]" 1
589 1 46 THR MG 1 47 SER H 1.800 . 4.200 3.405 1.794 3.554 0.006 7 0 "[ . 1 . 2]" 1
590 1 46 THR MG 1 52 VAL H 1.800 . 6.000 5.967 5.729 6.089 0.089 7 0 "[ . 1 . 2]" 1
591 1 47 SER H 1 48 GLU HA 1.800 . 6.000 5.321 5.017 5.477 . 0 0 "[ . 1 . 2]" 1
592 1 47 SER H 1 49 ASN H 1.800 . 6.000 4.089 3.839 4.495 . 0 0 "[ . 1 . 2]" 1
593 1 47 SER H 1 50 ALA H 1.800 . 4.200 3.639 3.353 3.898 . 0 0 "[ . 1 . 2]" 1
594 1 47 SER H 1 50 ALA HA 1.800 . 6.000 5.420 5.190 5.678 . 0 0 "[ . 1 . 2]" 1
595 1 47 SER HA 1 48 GLU H 1.800 . 4.200 2.974 2.479 3.055 . 0 0 "[ . 1 . 2]" 1
596 1 47 SER QB 1 48 GLU H 1.800 . 6.000 2.133 1.761 2.539 0.039 1 0 "[ . 1 . 2]" 1
597 1 47 SER QB 1 50 ALA H 1.800 . 5.000 4.413 4.103 4.964 . 0 0 "[ . 1 . 2]" 1
598 1 47 SER QB 1 50 ALA MB 1.800 . 5.000 5.045 4.822 5.195 0.195 5 0 "[ . 1 . 2]" 1
599 1 48 GLU H 1 48 GLU QG 1.800 . 6.000 2.717 1.808 4.038 . 0 0 "[ . 1 . 2]" 1
600 1 48 GLU H 1 49 ASN H 1.800 . 6.000 2.818 2.685 2.982 . 0 0 "[ . 1 . 2]" 1
601 1 48 GLU H 1 49 ASN QB 1.800 . 6.000 4.827 4.547 5.153 . 0 0 "[ . 1 . 2]" 1
602 1 48 GLU H 1 50 ALA MB 1.800 . 6.000 5.922 5.824 5.995 . 0 0 "[ . 1 . 2]" 1
603 1 48 GLU HA 1 49 ASN H 1.800 . 5.000 3.544 3.477 3.577 . 0 0 "[ . 1 . 2]" 1
604 1 48 GLU HA 1 50 ALA H 1.800 . 5.000 3.358 3.153 3.470 . 0 0 "[ . 1 . 2]" 1
605 1 48 GLU QB 1 49 ASN H 1.800 . 4.200 2.748 2.311 3.441 . 0 0 "[ . 1 . 2]" 1
606 1 48 GLU QG 1 49 ASN H 1.800 . 6.000 3.519 1.951 4.464 . 0 0 "[ . 1 . 2]" 1
607 1 49 ASN H 1 50 ALA H 1.800 . 3.500 2.827 2.706 2.888 . 0 0 "[ . 1 . 2]" 1
608 1 49 ASN H 1 50 ALA HA 1.800 . 6.000 5.411 5.330 5.454 . 0 0 "[ . 1 . 2]" 1
609 1 49 ASN H 1 50 ALA MB 1.800 . 6.000 4.545 4.412 4.621 . 0 0 "[ . 1 . 2]" 1
610 1 49 ASN H 1 66 LYS QE 1.800 . 6.000 5.354 3.288 6.112 0.112 6 0 "[ . 1 . 2]" 1
611 1 49 ASN HA 1 50 ALA H 1.800 . 3.500 3.236 3.163 3.331 . 0 0 "[ . 1 . 2]" 1
612 1 49 ASN HA 1 66 LYS H 1.800 . 5.000 3.761 2.693 4.869 . 0 0 "[ . 1 . 2]" 1
613 1 49 ASN HA 1 66 LYS QB 1.800 . 4.200 2.668 2.147 4.282 0.082 9 0 "[ . 1 . 2]" 1
614 1 49 ASN HA 1 66 LYS QD 1.800 . 5.000 3.628 2.766 4.951 . 0 0 "[ . 1 . 2]" 1
615 1 49 ASN HA 1 66 LYS QE 1.800 . 5.000 3.942 2.127 4.998 . 0 0 "[ . 1 . 2]" 1
616 1 49 ASN HA 1 66 LYS QG 1.800 . 6.000 4.067 2.166 4.970 . 0 0 "[ . 1 . 2]" 1
617 1 49 ASN QB 1 50 ALA H 1.800 . 5.000 3.596 3.253 3.929 . 0 0 "[ . 1 . 2]" 1
618 1 49 ASN QB 1 66 LYS H 1.800 . 5.000 4.552 3.735 5.110 0.110 3 0 "[ . 1 . 2]" 1
619 1 49 ASN QB 1 66 LYS QG 1.800 . 6.000 5.295 3.551 5.992 . 0 0 "[ . 1 . 2]" 1
620 1 50 ALA H 1 50 ALA MB 1.800 . 6.000 2.942 2.884 2.974 . 0 0 "[ . 1 . 2]" 1
621 1 50 ALA HA 1 51 GLU H 1.800 . 2.700 2.216 2.188 2.251 . 0 0 "[ . 1 . 2]" 1
622 1 50 ALA HA 1 65 LEU HA 1.800 . 4.200 2.754 2.346 3.153 . 0 0 "[ . 1 . 2]" 1
623 1 50 ALA HA 1 65 LEU MD2 1.800 . 6.000 2.964 2.018 4.317 . 0 0 "[ . 1 . 2]" 1
624 1 50 ALA HA 1 66 LYS H 1.800 . 5.000 4.310 3.055 4.951 . 0 0 "[ . 1 . 2]" 1
625 1 50 ALA MB 1 51 GLU H 1.800 . 5.000 3.105 3.014 3.215 . 0 0 "[ . 1 . 2]" 1
626 1 50 ALA MB 1 64 LEU H 1.800 . 6.000 5.966 5.669 6.131 0.131 12 0 "[ . 1 . 2]" 1
627 1 50 ALA MB 1 65 LEU MD2 1.800 . 5.000 2.706 1.966 4.247 . 0 0 "[ . 1 . 2]" 1
628 1 50 ALA MB 1 66 LYS H 1.800 . 5.000 4.315 3.480 4.698 . 0 0 "[ . 1 . 2]" 1
629 1 51 GLU H 1 51 GLU QG 1.800 . 6.000 4.139 2.652 4.344 . 0 0 "[ . 1 . 2]" 1
630 1 51 GLU H 1 63 LEU HA 1.800 . 6.000 4.924 4.318 5.724 . 0 0 "[ . 1 . 2]" 1
631 1 51 GLU H 1 63 LEU MD1 1.800 . 5.000 3.257 2.136 5.139 0.139 16 0 "[ . 1 . 2]" 1
632 1 51 GLU H 1 64 LEU H 1.800 . 5.000 3.820 3.481 4.233 . 0 0 "[ . 1 . 2]" 1
633 1 51 GLU H 1 64 LEU QB 1.800 . 5.000 4.303 3.774 5.057 0.057 3 0 "[ . 1 . 2]" 1
634 1 51 GLU H 1 64 LEU MD2 1.800 . 6.000 5.407 3.884 6.121 0.121 5 0 "[ . 1 . 2]" 1
635 1 51 GLU H 1 65 LEU HA 1.800 . 6.000 4.225 3.515 4.656 . 0 0 "[ . 1 . 2]" 1
636 1 51 GLU H 1 65 LEU MD2 1.800 . 6.000 3.529 2.469 5.268 . 0 0 "[ . 1 . 2]" 1
637 1 51 GLU HA 1 52 VAL H 1.800 . 3.500 2.324 2.255 2.379 . 0 0 "[ . 1 . 2]" 1
638 1 51 GLU QB 1 52 VAL H 1.800 . 6.000 3.614 2.951 3.753 . 0 0 "[ . 1 . 2]" 1
639 1 51 GLU QB 1 64 LEU H 1.800 . 6.000 4.942 4.494 5.407 . 0 0 "[ . 1 . 2]" 1
640 1 51 GLU QB 1 64 LEU QB 1.800 . 5.000 4.621 3.840 5.215 0.215 20 0 "[ . 1 . 2]" 1
641 1 51 GLU QG 1 52 VAL H 1.800 . 6.000 2.457 2.174 4.179 . 0 0 "[ . 1 . 2]" 1
642 1 52 VAL H 1 52 VAL MG1 1.800 . 6.000 3.761 3.718 3.829 . 0 0 "[ . 1 . 2]" 1
643 1 52 VAL H 1 52 VAL MG2 1.800 . 6.000 1.998 1.836 2.272 . 0 0 "[ . 1 . 2]" 1
644 1 52 VAL H 1 53 VAL MG1 1.800 . 5.000 4.541 4.120 5.165 0.165 11 0 "[ . 1 . 2]" 1
645 1 52 VAL HA 1 53 VAL H 1.800 . 3.500 2.234 2.121 2.408 . 0 0 "[ . 1 . 2]" 1
646 1 52 VAL HA 1 63 LEU HA 1.800 . 4.200 2.583 2.427 2.915 . 0 0 "[ . 1 . 2]" 1
647 1 52 VAL HA 1 64 LEU H 1.800 . 5.000 3.565 2.902 3.876 . 0 0 "[ . 1 . 2]" 1
648 1 52 VAL HB 1 53 VAL H 1.800 . 5.000 3.713 3.449 4.026 . 0 0 "[ . 1 . 2]" 1
649 1 52 VAL HB 1 63 LEU MD1 1.800 . 6.000 4.550 3.871 5.377 . 0 0 "[ . 1 . 2]" 1
650 1 52 VAL MG1 1 53 VAL H 1.800 . 5.000 2.188 1.846 2.486 . 0 0 "[ . 1 . 2]" 1
651 1 52 VAL MG2 1 53 VAL H 1.800 . 5.000 4.071 3.938 4.146 . 0 0 "[ . 1 . 2]" 1
652 1 52 VAL MG2 1 63 LEU MD1 1.800 . 3.500 2.258 1.862 2.765 . 0 0 "[ . 1 . 2]" 1
653 1 52 VAL MG2 1 64 LEU H 1.800 . 6.000 4.837 3.850 5.164 . 0 0 "[ . 1 . 2]" 1
654 1 53 VAL H 1 53 VAL MG1 1.800 . 6.000 2.919 2.163 3.310 . 0 0 "[ . 1 . 2]" 1
655 1 53 VAL H 1 53 VAL MG2 1.800 . 6.000 2.586 2.063 3.845 . 0 0 "[ . 1 . 2]" 1
656 1 53 VAL H 1 62 LEU H 1.800 . 6.000 3.738 2.897 4.273 . 0 0 "[ . 1 . 2]" 1
657 1 53 VAL H 1 62 LEU QB 1.800 . 5.000 4.071 3.494 4.886 . 0 0 "[ . 1 . 2]" 1
658 1 53 VAL H 1 63 LEU HA 1.800 . 6.000 3.368 2.657 4.171 . 0 0 "[ . 1 . 2]" 1
659 1 53 VAL HA 1 54 PHE H 1.800 . 4.200 2.264 2.185 2.342 . 0 0 "[ . 1 . 2]" 1
660 1 53 VAL HB 1 54 PHE H 1.800 . 6.000 3.204 2.706 3.958 . 0 0 "[ . 1 . 2]" 1
661 1 53 VAL HB 1 55 PHE QE 1.800 . 6.000 3.578 2.432 5.029 . 0 0 "[ . 1 . 2]" 1
662 1 53 VAL MG1 1 54 PHE H 1.800 . 6.000 3.789 3.557 3.936 . 0 0 "[ . 1 . 2]" 1
663 1 53 VAL MG1 1 62 LEU MD1 1.800 . 6.000 5.098 3.236 6.095 0.095 16 0 "[ . 1 . 2]" 1
664 1 53 VAL MG1 1 62 LEU MD2 1.800 . 6.000 4.798 2.288 6.024 0.024 16 0 "[ . 1 . 2]" 1
665 1 53 VAL MG1 1 64 LEU H 1.800 . 6.000 4.359 3.008 5.269 . 0 0 "[ . 1 . 2]" 1
666 1 53 VAL MG1 1 64 LEU MD2 1.800 . 6.000 4.594 2.391 5.968 . 0 0 "[ . 1 . 2]" 1
667 1 53 VAL MG2 1 54 PHE H 1.800 . 4.200 3.491 2.140 4.114 . 0 0 "[ . 1 . 2]" 1
668 1 53 VAL MG2 1 55 PHE QE 1.800 . 6.000 2.788 2.072 4.172 . 0 0 "[ . 1 . 2]" 1
669 1 53 VAL MG2 1 55 PHE HZ 1.800 . 6.000 3.359 2.249 4.394 . 0 0 "[ . 1 . 2]" 1
670 1 53 VAL MG2 1 62 LEU H 1.800 . 4.200 3.647 2.708 4.330 0.130 3 0 "[ . 1 . 2]" 1
671 1 53 VAL MG2 1 62 LEU MD1 1.800 . 5.000 3.700 2.256 4.848 . 0 0 "[ . 1 . 2]" 1
672 1 53 VAL MG2 1 62 LEU MD2 1.800 . 5.000 3.527 1.905 5.125 0.125 4 0 "[ . 1 . 2]" 1
673 1 54 PHE H 1 55 PHE QE 1.800 . 5.000 4.671 3.732 5.085 0.085 13 0 "[ . 1 . 2]" 1
674 1 54 PHE HA 1 55 PHE H 1.800 . 4.200 2.278 2.108 2.674 . 0 0 "[ . 1 . 2]" 1
675 1 54 PHE HA 1 60 ARG QB 1.800 . 6.000 4.836 4.020 5.973 . 0 0 "[ . 1 . 2]" 1
676 1 54 PHE HA 1 61 HIS HA 1.800 . 4.200 3.081 2.674 3.468 . 0 0 "[ . 1 . 2]" 1
677 1 54 PHE HA 1 62 LEU H 1.800 . 5.000 3.253 2.276 4.244 . 0 0 "[ . 1 . 2]" 1
678 1 54 PHE HA 1 62 LEU MD1 1.800 . 6.000 4.539 2.249 6.076 0.076 18 0 "[ . 1 . 2]" 1
679 1 54 PHE QB 1 55 PHE H 1.800 . 5.000 2.789 1.972 3.880 . 0 0 "[ . 1 . 2]" 1
680 1 54 PHE QB 1 58 GLY H 1.800 . 6.000 3.383 2.653 4.323 . 0 0 "[ . 1 . 2]" 1
681 1 54 PHE QB 1 59 LEU H 1.800 . 6.000 5.138 4.382 5.734 . 0 0 "[ . 1 . 2]" 1
682 1 54 PHE QB 1 61 HIS QB 1.800 . 6.000 4.757 3.438 6.051 0.051 10 0 "[ . 1 . 2]" 1
683 1 54 PHE QD 1 59 LEU QB 1.800 . 6.000 6.008 5.394 6.254 0.254 7 0 "[ . 1 . 2]" 1
684 1 54 PHE QE 1 58 GLY H 1.800 . 5.000 3.881 2.797 5.069 0.069 18 0 "[ . 1 . 2]" 1
685 1 55 PHE H 1 58 GLY H 1.800 . 5.000 3.548 2.576 4.638 . 0 0 "[ . 1 . 2]" 1
686 1 55 PHE H 1 59 LEU H 1.800 . 6.000 4.781 4.070 5.563 . 0 0 "[ . 1 . 2]" 1
687 1 55 PHE H 1 59 LEU QB 1.800 . 6.000 5.599 5.179 6.088 0.088 17 0 "[ . 1 . 2]" 1
688 1 55 PHE H 1 60 ARG H 1.800 . 5.000 3.576 3.084 3.966 . 0 0 "[ . 1 . 2]" 1
689 1 55 PHE H 1 60 ARG QB 1.800 . 5.000 3.474 2.612 4.311 . 0 0 "[ . 1 . 2]" 1
690 1 55 PHE H 1 60 ARG QD 1.800 . 6.000 5.324 4.498 6.065 0.065 7 0 "[ . 1 . 2]" 1
691 1 55 PHE H 1 60 ARG QG 1.800 . 6.000 5.086 4.085 5.796 . 0 0 "[ . 1 . 2]" 1
692 1 55 PHE H 1 61 HIS HA 1.800 . 6.000 3.992 3.333 4.574 . 0 0 "[ . 1 . 2]" 1
693 1 55 PHE HA 1 56 GLU H 1.800 . 4.200 2.411 2.138 2.708 . 0 0 "[ . 1 . 2]" 1
694 1 55 PHE QB 1 60 ARG H 1.800 . 5.000 4.412 3.328 5.051 0.051 17 0 "[ . 1 . 2]" 1
695 1 55 PHE QB 1 60 ARG QB 1.800 . 6.000 2.984 2.179 3.914 . 0 0 "[ . 1 . 2]" 1
696 1 55 PHE QB 1 60 ARG QD 1.800 . 6.000 3.818 2.476 5.675 . 0 0 "[ . 1 . 2]" 1
697 1 55 PHE QD 1 60 ARG QD 1.800 . 6.000 4.595 2.891 5.641 . 0 0 "[ . 1 . 2]" 1
698 1 55 PHE QE 1 62 LEU MD1 1.800 . 4.200 3.247 2.259 4.025 . 0 0 "[ . 1 . 2]" 1
699 1 55 PHE HZ 1 62 LEU QB 1.800 . 6.000 5.037 4.238 6.049 0.049 2 0 "[ . 1 . 2]" 1
700 1 55 PHE HZ 1 62 LEU MD2 1.800 . 5.000 4.759 3.824 5.168 0.168 5 0 "[ . 1 . 2]" 1
701 1 56 GLU H 1 57 ASN H 1.800 . 6.000 2.680 2.341 2.924 . 0 0 "[ . 1 . 2]" 1
702 1 56 GLU HA 1 57 ASN H 1.800 . 6.000 2.878 2.783 3.013 . 0 0 "[ . 1 . 2]" 1
703 1 56 GLU HA 1 59 LEU H 1.800 . 6.000 4.725 4.565 4.949 . 0 0 "[ . 1 . 2]" 1
704 1 56 GLU QB 1 57 ASN H 1.800 . 6.000 3.806 3.720 3.887 . 0 0 "[ . 1 . 2]" 1
705 1 56 GLU QB 1 59 LEU H 1.800 . 5.000 2.983 2.716 3.320 . 0 0 "[ . 1 . 2]" 1
706 1 56 GLU QB 1 59 LEU QB 1.800 . 4.200 2.065 1.935 2.232 . 0 0 "[ . 1 . 2]" 1
707 1 56 GLU QB 1 59 LEU MD1 1.800 . 5.000 3.878 2.252 4.687 . 0 0 "[ . 1 . 2]" 1
708 1 56 GLU QB 1 59 LEU MD2 1.800 . 6.000 3.231 2.524 4.803 . 0 0 "[ . 1 . 2]" 1
709 1 56 GLU QB 1 60 ARG QD 1.800 . 6.000 3.997 3.129 5.331 . 0 0 "[ . 1 . 2]" 1
710 1 56 GLU QB 1 60 ARG QG 1.800 . 6.000 4.018 2.916 5.312 . 0 0 "[ . 1 . 2]" 1
711 1 56 GLU QG 1 60 ARG QD 1.800 . 6.000 4.172 2.346 5.458 . 0 0 "[ . 1 . 2]" 1
712 1 57 ASN H 1 58 GLY H 1.800 . 5.000 2.746 2.601 3.082 . 0 0 "[ . 1 . 2]" 1
713 1 57 ASN HA 1 58 GLY H 1.800 . 4.200 2.840 2.665 2.980 . 0 0 "[ . 1 . 2]" 1
714 1 57 ASN QB 1 58 GLY H 1.800 . 6.000 3.895 3.802 3.958 . 0 0 "[ . 1 . 2]" 1
715 1 58 GLY H 1 59 LEU H 1.800 . 4.200 2.584 2.468 2.775 . 0 0 "[ . 1 . 2]" 1
716 1 58 GLY H 1 59 LEU QB 1.800 . 6.000 4.390 4.228 4.721 . 0 0 "[ . 1 . 2]" 1
717 1 58 GLY H 1 60 ARG H 1.800 . 5.000 3.540 3.371 3.974 . 0 0 "[ . 1 . 2]" 1
718 1 58 GLY H 1 60 ARG QB 1.800 . 6.000 5.231 5.016 5.765 . 0 0 "[ . 1 . 2]" 1
719 1 58 GLY QA 1 59 LEU H 1.800 . 4.200 2.935 2.901 2.975 . 0 0 "[ . 1 . 2]" 1
720 1 59 LEU H 1 59 LEU QB 1.800 . 6.000 2.237 2.099 2.416 . 0 0 "[ . 1 . 2]" 1
721 1 59 LEU H 1 59 LEU MD1 1.800 . 6.000 3.751 1.900 4.236 . 0 0 "[ . 1 . 2]" 1
722 1 59 LEU H 1 59 LEU MD2 1.800 . 6.000 4.141 3.396 4.450 . 0 0 "[ . 1 . 2]" 1
723 1 59 LEU H 1 59 LEU HG 1.800 . 6.000 4.141 2.421 4.551 . 0 0 "[ . 1 . 2]" 1
724 1 59 LEU H 1 60 ARG H 1.800 . 3.500 2.467 2.256 2.631 . 0 0 "[ . 1 . 2]" 1
725 1 59 LEU HA 1 60 ARG H 1.800 . 5.000 3.406 3.339 3.470 . 0 0 "[ . 1 . 2]" 1
726 1 59 LEU QB 1 60 ARG H 1.800 . 4.200 3.019 2.827 3.211 . 0 0 "[ . 1 . 2]" 1
727 1 59 LEU MD1 1 60 ARG H 1.800 . 5.000 4.807 3.981 5.089 0.089 5 0 "[ . 1 . 2]" 1
728 1 59 LEU MD2 1 60 ARG H 1.800 . 6.000 4.741 4.126 4.984 . 0 0 "[ . 1 . 2]" 1
729 1 60 ARG H 1 60 ARG QD 1.800 . 6.000 4.659 4.327 5.137 . 0 0 "[ . 1 . 2]" 1
730 1 60 ARG H 1 60 ARG QG 1.800 . 6.000 3.560 3.015 4.214 . 0 0 "[ . 1 . 2]" 1
731 1 60 ARG HA 1 61 HIS H 1.800 . 3.500 2.258 2.136 2.371 . 0 0 "[ . 1 . 2]" 1
732 1 60 ARG HA 1 61 HIS HD2 1.800 . 6.000 6.537 5.860 6.993 0.993 16 11 "[** .* **1 * -+* **]" 1
733 1 60 ARG QB 1 61 HIS H 1.800 . 5.000 3.412 2.529 4.027 . 0 0 "[ . 1 . 2]" 1
734 1 60 ARG QB 1 62 LEU MD1 1.800 . 5.000 3.676 2.389 5.133 0.133 17 0 "[ . 1 . 2]" 1
735 1 60 ARG QD 1 62 LEU MD1 1.800 . 6.000 3.997 2.312 5.948 . 0 0 "[ . 1 . 2]" 1
736 1 60 ARG QG 1 61 HIS H 1.800 . 5.000 3.529 2.062 4.398 . 0 0 "[ . 1 . 2]" 1
737 1 61 HIS HA 1 62 LEU H 1.800 . 3.500 2.160 2.082 2.240 . 0 0 "[ . 1 . 2]" 1
738 1 61 HIS QB 1 62 LEU H 1.800 . 5.000 3.360 3.048 3.687 . 0 0 "[ . 1 . 2]" 1
739 1 61 HIS QB 1 78 PHE QE 1.800 . 6.000 4.223 3.530 5.020 . 0 0 "[ . 1 . 2]" 1
740 1 61 HIS QB 1 78 PHE HZ 1.800 . 6.000 4.597 3.852 5.519 . 0 0 "[ . 1 . 2]" 1
741 1 62 LEU H 1 62 LEU QB 1.800 . 6.000 2.505 2.338 3.204 . 0 0 "[ . 1 . 2]" 1
742 1 62 LEU H 1 62 LEU MD1 1.800 . 6.000 3.269 2.020 4.589 . 0 0 "[ . 1 . 2]" 1
743 1 62 LEU H 1 62 LEU MD2 1.800 . 6.000 3.965 2.175 4.491 . 0 0 "[ . 1 . 2]" 1
744 1 62 LEU HA 1 63 LEU H 1.800 . 3.500 2.174 2.120 2.336 . 0 0 "[ . 1 . 2]" 1
745 1 62 LEU QB 1 63 LEU H 1.800 . 5.000 3.313 2.713 3.868 . 0 0 "[ . 1 . 2]" 1
746 1 62 LEU MD1 1 63 LEU H 1.800 . 6.000 4.554 2.837 5.067 . 0 0 "[ . 1 . 2]" 1
747 1 62 LEU MD2 1 63 LEU H 1.800 . 6.000 4.120 2.696 5.089 . 0 0 "[ . 1 . 2]" 1
748 1 62 LEU HG 1 63 LEU H 1.800 . 6.000 3.938 2.604 5.269 . 0 0 "[ . 1 . 2]" 1
749 1 63 LEU H 1 63 LEU QB 1.800 . 6.000 2.410 2.300 2.729 . 0 0 "[ . 1 . 2]" 1
750 1 63 LEU H 1 63 LEU MD1 1.800 . 6.000 4.336 4.226 4.767 . 0 0 "[ . 1 . 2]" 1
751 1 63 LEU H 1 63 LEU MD2 1.800 . 6.000 4.375 4.033 4.538 . 0 0 "[ . 1 . 2]" 1
752 1 63 LEU H 1 63 LEU HG 1.800 . 6.000 4.291 4.122 4.716 . 0 0 "[ . 1 . 2]" 1
753 1 63 LEU HA 1 64 LEU H 1.800 . 3.500 2.236 2.180 2.334 . 0 0 "[ . 1 . 2]" 1
754 1 63 LEU QB 1 64 LEU H 1.800 . 6.000 3.943 3.891 4.038 . 0 0 "[ . 1 . 2]" 1
755 1 63 LEU MD1 1 64 LEU H 1.800 . 6.000 2.875 2.086 4.905 . 0 0 "[ . 1 . 2]" 1
756 1 63 LEU MD1 1 65 LEU MD2 1.800 . 4.200 2.831 2.066 4.079 . 0 0 "[ . 1 . 2]" 1
757 1 63 LEU MD2 1 65 LEU MD1 1.800 . 4.200 3.080 2.165 4.082 . 0 0 "[ . 1 . 2]" 1
758 1 63 LEU HG 1 64 LEU H 1.800 . 5.000 3.712 3.385 4.009 . 0 0 "[ . 1 . 2]" 1
759 1 64 LEU H 1 64 LEU QB 1.800 . 6.000 2.321 2.172 2.596 . 0 0 "[ . 1 . 2]" 1
760 1 64 LEU H 1 64 LEU MD1 1.800 . 6.000 3.942 2.238 4.422 . 0 0 "[ . 1 . 2]" 1
761 1 64 LEU H 1 64 LEU MD2 1.800 . 6.000 4.031 2.274 4.399 . 0 0 "[ . 1 . 2]" 1
762 1 64 LEU H 1 64 LEU HG 1.800 . 6.000 4.073 2.302 4.534 . 0 0 "[ . 1 . 2]" 1
763 1 64 LEU HA 1 65 LEU H 1.800 . 4.200 2.124 2.051 2.166 . 0 0 "[ . 1 . 2]" 1
764 1 64 LEU QB 1 65 LEU H 1.800 . 6.000 3.527 2.614 3.858 . 0 0 "[ . 1 . 2]" 1
765 1 64 LEU MD1 1 65 LEU H 1.800 . 6.000 3.043 1.854 5.015 . 0 0 "[ . 1 . 2]" 1
766 1 64 LEU MD2 1 65 LEU H 1.800 . 6.000 4.164 2.593 5.043 . 0 0 "[ . 1 . 2]" 1
767 1 64 LEU HG 1 65 LEU H 1.800 . 4.200 3.344 2.553 4.498 0.298 11 0 "[ . 1 . 2]" 1
768 1 65 LEU H 1 65 LEU QB 1.800 . 6.000 2.671 2.393 3.212 . 0 0 "[ . 1 . 2]" 1
769 1 65 LEU H 1 65 LEU MD1 1.800 . 6.000 3.955 2.638 4.284 . 0 0 "[ . 1 . 2]" 1
770 1 65 LEU H 1 65 LEU MD2 1.800 . 6.000 3.449 1.772 4.238 0.028 17 0 "[ . 1 . 2]" 1
771 1 65 LEU H 1 65 LEU HG 1.800 . 6.000 2.941 2.299 4.351 . 0 0 "[ . 1 . 2]" 1
772 1 65 LEU HA 1 66 LYS H 1.800 . 3.500 2.427 2.203 2.707 . 0 0 "[ . 1 . 2]" 1
773 1 65 LEU QB 1 66 LYS H 1.800 . 6.000 2.780 2.069 3.593 . 0 0 "[ . 1 . 2]" 1
774 1 65 LEU MD1 1 66 LYS H 1.800 . 6.000 4.645 2.833 5.431 . 0 0 "[ . 1 . 2]" 1
775 1 65 LEU MD1 1 76 VAL MG2 1.800 . 5.000 3.874 3.201 5.007 0.007 1 0 "[ . 1 . 2]" 1
776 1 65 LEU MD1 1 89 LEU MD2 1.800 . 5.000 3.280 2.357 4.859 . 0 0 "[ . 1 . 2]" 1
777 1 65 LEU MD2 1 66 LYS H 1.800 . 6.000 3.853 3.098 5.118 . 0 0 "[ . 1 . 2]" 1
778 1 65 LEU HG 1 66 LYS H 1.800 . 6.000 4.853 3.587 5.332 . 0 0 "[ . 1 . 2]" 1
779 1 66 LYS H 1 66 LYS QD 1.800 . 6.000 4.526 3.649 5.340 . 0 0 "[ . 1 . 2]" 1
780 1 66 LYS H 1 66 LYS QE 1.800 . 6.000 4.940 3.773 6.229 0.229 5 0 "[ . 1 . 2]" 1
781 1 66 LYS H 1 66 LYS QG 1.800 . 6.000 3.260 1.930 4.221 . 0 0 "[ . 1 . 2]" 1
782 1 66 LYS HA 1 67 ASN H 1.800 . 4.200 2.606 2.382 2.813 . 0 0 "[ . 1 . 2]" 1
783 1 66 LYS QB 1 67 ASN H 1.800 . 5.000 2.218 1.721 3.307 0.079 14 0 "[ . 1 . 2]" 1
784 1 66 LYS QD 1 67 ASN H 1.800 . 6.000 4.040 3.287 4.654 . 0 0 "[ . 1 . 2]" 1
785 1 66 LYS QE 1 67 ASN H 1.800 . 6.000 4.572 3.449 5.987 . 0 0 "[ . 1 . 2]" 1
786 1 66 LYS QG 1 67 ASN H 1.800 . 5.000 3.017 1.761 3.765 0.039 7 0 "[ . 1 . 2]" 1
787 1 67 ASN H 1 68 LEU H 1.800 . 4.200 3.092 2.970 3.161 . 0 0 "[ . 1 . 2]" 1
788 1 67 ASN H 1 68 LEU MD1 1.800 . 6.000 5.233 3.354 5.856 . 0 0 "[ . 1 . 2]" 1
789 1 67 ASN H 1 68 LEU HG 1.800 . 6.000 4.347 3.985 6.104 0.104 6 0 "[ . 1 . 2]" 1
790 1 67 ASN HA 1 68 LEU H 1.800 . 3.500 2.713 2.576 2.812 . 0 0 "[ . 1 . 2]" 1
791 1 67 ASN QB 1 68 LEU H 1.800 . 5.000 3.916 3.832 3.986 . 0 0 "[ . 1 . 2]" 1
792 1 68 LEU H 1 68 LEU QB 1.800 . 6.000 2.427 2.266 2.574 . 0 0 "[ . 1 . 2]" 1
793 1 68 LEU H 1 68 LEU MD1 1.800 . 6.000 3.415 1.813 3.888 . 0 0 "[ . 1 . 2]" 1
794 1 68 LEU H 1 68 LEU MD2 1.800 . 6.000 3.267 1.776 4.076 0.024 6 0 "[ . 1 . 2]" 1
795 1 68 LEU H 1 68 LEU HG 1.800 . 6.000 2.236 1.888 3.646 . 0 0 "[ . 1 . 2]" 1
796 1 68 LEU H 1 69 ARG H 1.800 . 6.000 4.444 4.347 4.625 . 0 0 "[ . 1 . 2]" 1
797 1 68 LEU H 1 91 VAL MG1 1.800 . 6.000 4.726 4.412 5.102 . 0 0 "[ . 1 . 2]" 1
798 1 68 LEU HA 1 69 ARG H 1.800 . 4.200 2.143 2.077 2.244 . 0 0 "[ . 1 . 2]" 1
799 1 68 LEU QB 1 69 ARG H 1.800 . 5.000 3.324 2.703 3.611 . 0 0 "[ . 1 . 2]" 1
800 1 68 LEU MD1 1 69 ARG H 1.800 . 6.000 5.044 3.559 5.393 . 0 0 "[ . 1 . 2]" 1
801 1 68 LEU MD1 1 89 LEU MD1 1.800 . 5.000 3.447 2.508 4.597 . 0 0 "[ . 1 . 2]" 1
802 1 68 LEU MD1 1 91 VAL MG1 1.800 . 5.000 3.435 2.727 4.478 . 0 0 "[ . 1 . 2]" 1
803 1 68 LEU MD1 1 91 VAL MG2 1.800 . 6.000 2.685 2.045 4.145 . 0 0 "[ . 1 . 2]" 1
804 1 68 LEU MD2 1 69 ARG H 1.800 . 6.000 3.625 3.126 4.719 . 0 0 "[ . 1 . 2]" 1
805 1 68 LEU MD2 1 89 LEU MD2 1.800 . 5.000 3.278 2.308 4.643 . 0 0 "[ . 1 . 2]" 1
806 1 68 LEU MD2 1 91 VAL MG1 1.800 . 6.000 3.808 2.926 4.548 . 0 0 "[ . 1 . 2]" 1
807 1 68 LEU MD2 1 91 VAL MG2 1.800 . 5.000 2.868 2.311 4.062 . 0 0 "[ . 1 . 2]" 1
808 1 68 LEU HG 1 69 ARG H 1.800 . 6.000 4.961 4.196 5.599 . 0 0 "[ . 1 . 2]" 1
809 1 69 ARG H 1 69 ARG QG 1.800 . 6.000 2.461 1.727 3.907 0.073 5 0 "[ . 1 . 2]" 1
810 1 69 ARG H 1 72 ASP H 1.800 . 6.000 3.561 3.246 3.923 . 0 0 "[ . 1 . 2]" 1
811 1 69 ARG H 1 73 SER H 1.800 . 6.000 4.812 4.155 6.009 0.009 1 0 "[ . 1 . 2]" 1
812 1 69 ARG H 1 91 VAL MG1 1.800 . 6.000 3.561 2.512 4.444 . 0 0 "[ . 1 . 2]" 1
813 1 69 ARG HA 1 70 PRO QD 1.800 . 6.000 2.207 2.132 2.367 . 0 0 "[ . 1 . 2]" 1
814 1 69 ARG QB 1 70 PRO QD 1.800 . 6.000 2.146 1.933 2.296 . 0 0 "[ . 1 . 2]" 1
815 1 69 ARG QB 1 71 GLN QB 1.800 . 5.000 2.769 2.411 3.241 . 0 0 "[ . 1 . 2]" 1
816 1 69 ARG QB 1 72 ASP H 1.800 . 4.200 2.931 2.261 3.502 . 0 0 "[ . 1 . 2]" 1
817 1 69 ARG QD 1 72 ASP H 1.800 . 6.000 4.581 3.221 5.621 . 0 0 "[ . 1 . 2]" 1
818 1 69 ARG QG 1 70 PRO QD 1.800 . 6.000 3.510 2.297 3.983 . 0 0 "[ . 1 . 2]" 1
819 1 69 ARG QG 1 71 GLN QB 1.800 . 4.200 3.865 2.439 4.337 0.137 10 0 "[ . 1 . 2]" 1
820 1 69 ARG QG 1 72 ASP H 1.800 . 5.000 3.750 1.870 4.878 . 0 0 "[ . 1 . 2]" 1
821 1 70 PRO HA 1 72 ASP H 1.800 . 5.000 4.738 4.342 5.087 0.087 6 0 "[ . 1 . 2]" 1
822 1 70 PRO HA 1 73 SER H 1.800 . 6.000 3.692 3.578 3.979 . 0 0 "[ . 1 . 2]" 1
823 1 70 PRO HA 1 91 VAL H 1.800 . 5.000 4.262 3.958 4.796 . 0 0 "[ . 1 . 2]" 1
824 1 70 PRO HA 1 91 VAL MG1 1.800 . 5.000 3.086 2.597 3.988 . 0 0 "[ . 1 . 2]" 1
825 1 70 PRO QB 1 91 VAL MG1 1.800 . 6.000 4.177 3.844 4.949 . 0 0 "[ . 1 . 2]" 1
826 1 70 PRO QD 1 71 GLN QB 1.800 . 5.000 3.922 3.517 4.146 . 0 0 "[ . 1 . 2]" 1
827 1 70 PRO HD2 1 71 GLN QB 1.800 . 4.200 4.034 3.592 4.284 0.084 20 0 "[ . 1 . 2]" 1
828 1 70 PRO QG 1 71 GLN QB 1.800 . 6.000 4.345 4.017 4.762 . 0 0 "[ . 1 . 2]" 1
829 1 71 GLN H 1 72 ASP H 1.800 . 6.000 2.960 2.920 2.995 . 0 0 "[ . 1 . 2]" 1
830 1 71 GLN HA 1 72 ASP H 1.800 . 6.000 3.603 3.579 3.623 . 0 0 "[ . 1 . 2]" 1
831 1 71 GLN HA 1 73 SER H 1.800 . 6.000 4.330 4.029 4.530 . 0 0 "[ . 1 . 2]" 1
832 1 71 GLN QB 1 72 ASP H 1.800 . 4.200 2.264 2.031 2.517 . 0 0 "[ . 1 . 2]" 1
833 1 71 GLN QB 1 72 ASP HA 1.800 . 5.000 4.032 3.926 4.287 . 0 0 "[ . 1 . 2]" 1
834 1 71 GLN QG 1 72 ASP H 1.800 . 5.000 3.278 3.099 3.673 . 0 0 "[ . 1 . 2]" 1
835 1 72 ASP H 1 73 SER H 1.800 . 5.000 3.079 2.915 3.163 . 0 0 "[ . 1 . 2]" 1
836 1 72 ASP H 1 91 VAL HB 1.800 . 6.000 5.456 4.931 5.997 . 0 0 "[ . 1 . 2]" 1
837 1 72 ASP H 1 91 VAL MG1 1.800 . 6.000 5.212 4.671 6.007 0.007 13 0 "[ . 1 . 2]" 1
838 1 72 ASP H 1 91 VAL MG2 1.800 . 6.000 5.256 4.810 5.896 . 0 0 "[ . 1 . 2]" 1
839 1 72 ASP HA 1 73 SER H 1.800 . 6.000 3.624 3.580 3.668 . 0 0 "[ . 1 . 2]" 1
840 1 72 ASP QB 1 73 SER H 1.800 . 6.000 2.886 2.604 3.615 . 0 0 "[ . 1 . 2]" 1
841 1 73 SER H 1 74 CYS H 1.800 . 5.000 4.433 4.191 4.571 . 0 0 "[ . 1 . 2]" 1
842 1 73 SER H 1 91 VAL H 1.800 . 6.000 4.874 4.489 5.378 . 0 0 "[ . 1 . 2]" 1
843 1 73 SER H 1 91 VAL MG2 1.800 . 6.000 3.596 3.076 4.700 . 0 0 "[ . 1 . 2]" 1
844 1 73 SER HA 1 74 CYS H 1.800 . 5.000 2.142 2.096 2.181 . 0 0 "[ . 1 . 2]" 1
845 1 73 SER HA 1 89 LEU H 1.800 . 6.000 5.231 4.679 5.855 . 0 0 "[ . 1 . 2]" 1
846 1 73 SER HA 1 91 VAL MG2 1.800 . 6.000 3.310 2.794 4.518 . 0 0 "[ . 1 . 2]" 1
847 1 73 SER QB 1 74 CYS H 1.800 . 6.000 3.492 2.988 3.890 . 0 0 "[ . 1 . 2]" 1
848 1 73 SER QB 1 90 THR HA 1.800 . 6.000 3.041 2.407 4.390 . 0 0 "[ . 1 . 2]" 1
849 1 73 SER QB 1 91 VAL H 1.800 . 6.000 2.823 2.226 3.289 . 0 0 "[ . 1 . 2]" 1
850 1 74 CYS H 1 76 VAL MG2 1.800 . 6.000 4.266 3.888 4.857 . 0 0 "[ . 1 . 2]" 1
851 1 74 CYS H 1 89 LEU H 1.800 . 5.000 4.122 3.808 4.414 . 0 0 "[ . 1 . 2]" 1
852 1 74 CYS H 1 89 LEU QB 1.800 . 5.000 1.994 1.797 2.297 0.003 7 0 "[ . 1 . 2]" 1
853 1 74 CYS H 1 89 LEU MD2 1.800 . 5.000 2.462 1.922 4.280 . 0 0 "[ . 1 . 2]" 1
854 1 74 CYS H 1 90 THR HA 1.800 . 6.000 5.402 4.652 5.985 . 0 0 "[ . 1 . 2]" 1
855 1 74 CYS H 1 91 VAL H 1.800 . 6.000 6.096 5.892 6.204 0.204 18 0 "[ . 1 . 2]" 1
856 1 74 CYS HA 1 75 ARG H 1.800 . 6.000 2.871 2.531 3.126 . 0 0 "[ . 1 . 2]" 1
857 1 74 CYS QB 1 75 ARG H 1.800 . 6.000 1.983 1.760 2.263 0.040 12 0 "[ . 1 . 2]" 1
858 1 74 CYS QB 1 75 ARG HA 1.800 . 6.000 4.351 4.121 4.528 . 0 0 "[ . 1 . 2]" 1
859 1 75 ARG H 1 75 ARG QD 1.800 . 6.000 4.161 2.184 4.796 . 0 0 "[ . 1 . 2]" 1
860 1 75 ARG H 1 75 ARG QG 1.800 . 6.000 3.660 2.278 4.074 . 0 0 "[ . 1 . 2]" 1
861 1 75 ARG HA 1 76 VAL H 1.800 . 3.500 2.187 2.129 2.243 . 0 0 "[ . 1 . 2]" 1
862 1 75 ARG HA 1 88 PHE HA 1.800 . 4.200 3.293 2.727 3.777 . 0 0 "[ . 1 . 2]" 1
863 1 75 ARG HA 1 89 LEU H 1.800 . 6.000 4.055 3.771 4.329 . 0 0 "[ . 1 . 2]" 1
864 1 75 ARG QD 1 76 VAL H 1.800 . 6.000 4.198 1.935 4.898 . 0 0 "[ . 1 . 2]" 1
865 1 75 ARG QD 1 87 ALA H 1.800 . 6.000 5.974 4.321 6.209 0.209 5 0 "[ . 1 . 2]" 1
866 1 75 ARG QD 1 88 PHE QE 1.800 . 6.000 4.893 3.260 6.024 0.024 20 0 "[ . 1 . 2]" 1
867 1 75 ARG QG 1 76 VAL H 1.800 . 6.000 2.932 2.349 4.529 . 0 0 "[ . 1 . 2]" 1
868 1 75 ARG QG 1 87 ALA H 1.800 . 6.000 4.981 4.076 6.252 0.252 18 0 "[ . 1 . 2]" 1
869 1 76 VAL H 1 76 VAL QG 1.800 . 6.000 2.574 2.234 2.886 . 0 0 "[ . 1 . 2]" 1
870 1 76 VAL H 1 86 SER HA 1.800 . 6.000 5.006 4.404 5.526 . 0 0 "[ . 1 . 2]" 1
871 1 76 VAL H 1 87 ALA H 1.800 . 5.000 3.631 2.908 4.177 . 0 0 "[ . 1 . 2]" 1
872 1 76 VAL H 1 88 PHE HA 1.800 . 5.000 3.685 3.296 4.094 . 0 0 "[ . 1 . 2]" 1
873 1 76 VAL H 1 89 LEU H 1.800 . 6.000 4.940 4.565 5.467 . 0 0 "[ . 1 . 2]" 1
874 1 76 VAL HA 1 77 THR H 1.800 . 3.500 2.187 2.141 2.229 . 0 0 "[ . 1 . 2]" 1
875 1 76 VAL HB 1 77 THR H 1.800 . 6.000 4.286 4.126 4.411 . 0 0 "[ . 1 . 2]" 1
876 1 76 VAL HB 1 87 ALA H 1.800 . 6.000 3.052 2.701 3.754 . 0 0 "[ . 1 . 2]" 1
877 1 76 VAL MG1 1 87 ALA H 1.800 . 5.000 3.881 3.360 4.352 . 0 0 "[ . 1 . 2]" 1
878 1 76 VAL MG1 1 87 ALA MB 1.800 . 5.000 4.139 3.751 4.862 . 0 0 "[ . 1 . 2]" 1
879 1 76 VAL MG2 1 87 ALA MB 1.800 . 5.000 4.264 3.785 4.855 . 0 0 "[ . 1 . 2]" 1
880 1 76 VAL MG2 1 89 LEU H 1.800 . 6.000 4.315 3.568 4.925 . 0 0 "[ . 1 . 2]" 1
881 1 77 THR H 1 77 THR MG 1.800 . 6.000 3.619 2.270 3.925 . 0 0 "[ . 1 . 2]" 1
882 1 77 THR HA 1 78 PHE H 1.800 . 3.500 2.128 2.094 2.196 . 0 0 "[ . 1 . 2]" 1
883 1 77 THR HA 1 86 SER HA 1.800 . 4.200 2.831 2.508 3.364 . 0 0 "[ . 1 . 2]" 1
884 1 77 THR HA 1 87 ALA H 1.800 . 6.000 4.131 3.734 4.650 . 0 0 "[ . 1 . 2]" 1
885 1 77 THR HB 1 78 PHE H 1.800 . 6.000 3.979 3.005 4.259 . 0 0 "[ . 1 . 2]" 1
886 1 77 THR MG 1 78 PHE H 1.800 . 4.200 2.843 2.385 4.141 . 0 0 "[ . 1 . 2]" 1
887 1 77 THR MG 1 85 THR H 1.800 . 6.000 4.648 3.626 6.069 0.069 20 0 "[ . 1 . 2]" 1
888 1 78 PHE H 1 84 VAL MG2 1.800 . 6.000 4.503 3.372 6.075 0.075 3 0 "[ . 1 . 2]" 1
889 1 78 PHE H 1 85 THR H 1.800 . 5.000 3.537 3.062 3.863 . 0 0 "[ . 1 . 2]" 1
890 1 78 PHE H 1 85 THR MG 1.800 . 5.000 4.775 4.284 5.112 0.112 6 0 "[ . 1 . 2]" 1
891 1 78 PHE H 1 86 SER HA 1.800 . 5.000 3.627 3.311 3.953 . 0 0 "[ . 1 . 2]" 1
892 1 78 PHE HA 1 79 LEU H 1.800 . 3.500 2.179 2.158 2.224 . 0 0 "[ . 1 . 2]" 1
893 1 78 PHE QB 1 79 LEU H 1.800 . 6.000 3.887 3.811 3.949 . 0 0 "[ . 1 . 2]" 1
894 1 78 PHE QB 1 85 THR H 1.800 . 6.000 3.684 3.095 4.526 . 0 0 "[ . 1 . 2]" 1
895 1 78 PHE QB 1 85 THR MG 1.800 . 5.000 3.718 3.327 4.519 . 0 0 "[ . 1 . 2]" 1
896 1 78 PHE QD 1 79 LEU H 1.800 . 6.000 3.098 2.195 3.621 . 0 0 "[ . 1 . 2]" 1
897 1 78 PHE QD 1 80 ALA MB 1.800 . 5.000 3.583 3.036 4.270 . 0 0 "[ . 1 . 2]" 1
898 1 78 PHE QD 1 85 THR MG 1.800 . 5.000 2.963 2.366 3.773 . 0 0 "[ . 1 . 2]" 1
899 1 78 PHE QE 1 85 THR MG 1.800 . 6.000 4.064 3.419 4.865 . 0 0 "[ . 1 . 2]" 1
900 1 79 LEU H 1 79 LEU QB 1.800 . 6.000 2.441 2.326 3.149 . 0 0 "[ . 1 . 2]" 1
901 1 79 LEU H 1 79 LEU MD1 1.800 . 6.000 4.268 3.621 4.487 . 0 0 "[ . 1 . 2]" 1
902 1 79 LEU H 1 79 LEU MD2 1.800 . 6.000 4.217 1.795 4.565 0.005 2 0 "[ . 1 . 2]" 1
903 1 79 LEU H 1 79 LEU HG 1.800 . 6.000 4.378 3.094 4.881 . 0 0 "[ . 1 . 2]" 1
904 1 79 LEU HA 1 80 ALA H 1.800 . 4.200 2.224 2.069 2.343 . 0 0 "[ . 1 . 2]" 1
905 1 79 LEU HA 1 81 GLY H 1.800 . 6.000 5.122 4.570 5.755 . 0 0 "[ . 1 . 2]" 1
906 1 79 LEU HA 1 85 THR H 1.800 . 6.000 3.772 3.324 4.091 . 0 0 "[ . 1 . 2]" 1
907 1 79 LEU QB 1 80 ALA H 1.800 . 6.000 3.967 3.310 4.050 . 0 0 "[ . 1 . 2]" 1
908 1 79 LEU MD2 1 80 ALA H 1.800 . 5.000 4.305 2.653 5.125 0.125 14 0 "[ . 1 . 2]" 1
909 1 79 LEU HG 1 80 ALA H 1.800 . 6.000 4.067 3.719 5.105 . 0 0 "[ . 1 . 2]" 1
910 1 79 LEU HG 1 81 GLY H 1.800 . 5.000 4.277 3.025 5.100 0.100 3 0 "[ . 1 . 2]" 1
911 1 79 LEU HG 1 83 MET H 1.800 . 6.000 5.731 5.002 6.092 0.092 2 0 "[ . 1 . 2]" 1
912 1 80 ALA H 1 80 ALA MB 1.800 . 6.000 2.308 2.230 2.467 . 0 0 "[ . 1 . 2]" 1
913 1 80 ALA H 1 81 GLY H 1.800 . 6.000 4.053 3.798 4.293 . 0 0 "[ . 1 . 2]" 1
914 1 80 ALA H 1 83 MET H 1.800 . 5.000 4.392 3.833 5.040 0.040 6 0 "[ . 1 . 2]" 1
915 1 80 ALA H 1 83 MET QB 1.800 . 5.000 3.817 2.839 5.001 0.001 10 0 "[ . 1 . 2]" 1
916 1 80 ALA H 1 84 VAL HA 1.800 . 5.000 3.381 2.805 4.101 . 0 0 "[ . 1 . 2]" 1
917 1 80 ALA HA 1 81 GLY H 1.800 . 4.200 2.236 2.148 2.356 . 0 0 "[ . 1 . 2]" 1
918 1 80 ALA MB 1 83 MET H 1.800 . 5.000 4.262 3.814 4.732 . 0 0 "[ . 1 . 2]" 1
919 1 81 GLY QA 1 82 ASP H 1.800 . 4.200 2.261 2.192 2.325 . 0 0 "[ . 1 . 2]" 1
920 1 81 GLY QA 1 83 MET H 1.800 . 4.200 3.201 3.009 3.337 . 0 0 "[ . 1 . 2]" 1
921 1 82 ASP H 1 83 MET H 1.800 . 4.200 3.086 2.863 3.333 . 0 0 "[ . 1 . 2]" 1
922 1 82 ASP HA 1 83 MET H 1.800 . 6.000 3.256 3.002 3.492 . 0 0 "[ . 1 . 2]" 1
923 1 82 ASP QB 1 83 MET H 1.800 . 5.000 3.443 2.872 3.820 . 0 0 "[ . 1 . 2]" 1
924 1 83 MET H 1 83 MET ME 1.800 . 6.000 3.979 3.571 4.542 . 0 0 "[ . 1 . 2]" 1
925 1 83 MET H 1 83 MET QG 1.800 . 6.000 2.691 1.955 3.376 . 0 0 "[ . 1 . 2]" 1
926 1 83 MET H 1 84 VAL MG1 1.800 . 5.000 4.708 3.790 5.058 0.058 13 0 "[ . 1 . 2]" 1
927 1 83 MET HA 1 84 VAL H 1.800 . 6.000 2.169 2.129 2.219 . 0 0 "[ . 1 . 2]" 1
928 1 83 MET QB 1 84 VAL H 1.800 . 6.000 3.261 3.018 3.481 . 0 0 "[ . 1 . 2]" 1
929 1 83 MET QG 1 84 VAL H 1.800 . 6.000 4.319 4.097 4.620 . 0 0 "[ . 1 . 2]" 1
930 1 84 VAL H 1 84 VAL MG1 1.800 . 6.000 2.152 1.867 2.772 . 0 0 "[ . 1 . 2]" 1
931 1 84 VAL H 1 84 VAL MG2 1.800 . 6.000 3.376 1.988 3.840 . 0 0 "[ . 1 . 2]" 1
932 1 84 VAL HA 1 85 THR H 1.800 . 4.200 2.143 2.090 2.176 . 0 0 "[ . 1 . 2]" 1
933 1 84 VAL MG2 1 85 THR H 1.800 . 5.000 2.875 2.308 3.915 . 0 0 "[ . 1 . 2]" 1
934 1 85 THR H 1 85 THR MG 1.800 . 6.000 2.335 2.185 2.652 . 0 0 "[ . 1 . 2]" 1
935 1 85 THR HA 1 86 SER H 1.800 . 4.200 2.259 2.183 2.378 . 0 0 "[ . 1 . 2]" 1
936 1 85 THR HB 1 86 SER H 1.800 . 6.000 3.254 2.858 3.522 . 0 0 "[ . 1 . 2]" 1
937 1 85 THR MG 1 86 SER H 1.800 . 6.000 4.284 4.125 4.397 . 0 0 "[ . 1 . 2]" 1
938 1 86 SER HA 1 87 ALA H 1.800 . 3.500 2.199 2.147 2.255 . 0 0 "[ . 1 . 2]" 1
939 1 86 SER QB 1 87 ALA H 1.800 . 6.000 3.178 2.656 3.810 . 0 0 "[ . 1 . 2]" 1
940 1 87 ALA H 1 87 ALA MB 1.800 . 6.000 2.626 2.539 2.709 . 0 0 "[ . 1 . 2]" 1
941 1 87 ALA HA 1 88 PHE H 1.800 . 3.500 2.311 2.239 2.420 . 0 0 "[ . 1 . 2]" 1
942 1 87 ALA MB 1 88 PHE H 1.800 . 6.000 2.567 2.299 2.779 . 0 0 "[ . 1 . 2]" 1
943 1 88 PHE HA 1 89 LEU H 1.800 . 4.200 2.359 2.267 2.490 . 0 0 "[ . 1 . 2]" 1
944 1 89 LEU H 1 89 LEU QB 1.800 . 6.000 2.561 2.474 2.686 . 0 0 "[ . 1 . 2]" 1
945 1 89 LEU H 1 89 LEU MD1 1.800 . 6.000 4.359 4.141 4.727 . 0 0 "[ . 1 . 2]" 1
946 1 89 LEU H 1 89 LEU MD2 1.800 . 6.000 4.500 4.189 4.618 . 0 0 "[ . 1 . 2]" 1
947 1 89 LEU H 1 89 LEU HG 1.800 . 6.000 4.453 4.343 4.872 . 0 0 "[ . 1 . 2]" 1
948 1 89 LEU HA 1 90 THR H 1.800 . 4.200 2.232 2.162 2.283 . 0 0 "[ . 1 . 2]" 1
949 1 89 LEU QB 1 90 THR H 1.800 . 6.000 3.649 3.480 3.784 . 0 0 "[ . 1 . 2]" 1
950 1 89 LEU MD1 1 90 THR H 1.800 . 6.000 2.192 1.760 4.284 0.040 2 0 "[ . 1 . 2]" 1
951 1 89 LEU MD1 1 91 VAL MG2 1.800 . 5.000 2.783 2.060 3.586 . 0 0 "[ . 1 . 2]" 1
952 1 89 LEU MD2 1 91 VAL H 1.800 . 6.000 5.040 3.438 5.876 . 0 0 "[ . 1 . 2]" 1
953 1 89 LEU MD2 1 91 VAL MG2 1.800 . 5.000 2.760 1.800 3.660 . 0 0 "[ . 1 . 2]" 1
954 1 89 LEU HG 1 90 THR H 1.800 . 6.000 2.944 2.569 4.644 . 0 0 "[ . 1 . 2]" 1
955 1 90 THR H 1 90 THR MG 1.800 . 6.000 3.617 2.960 3.973 . 0 0 "[ . 1 . 2]" 1
956 1 90 THR HA 1 91 VAL H 1.800 . 5.000 2.148 2.110 2.199 . 0 0 "[ . 1 . 2]" 1
957 1 90 THR HA 1 91 VAL MG2 1.800 . 6.000 3.619 3.323 3.938 . 0 0 "[ . 1 . 2]" 1
958 1 90 THR HB 1 91 VAL H 1.800 . 6.000 3.928 3.251 4.363 . 0 0 "[ . 1 . 2]" 1
959 1 90 THR MG 1 91 VAL H 1.800 . 5.000 3.145 2.388 3.990 . 0 0 "[ . 1 . 2]" 1
960 1 91 VAL H 1 91 VAL MG1 1.800 . 6.000 3.898 3.808 3.965 . 0 0 "[ . 1 . 2]" 1
961 1 91 VAL H 1 91 VAL MG2 1.800 . 6.000 2.860 2.619 3.177 . 0 0 "[ . 1 . 2]" 1
962 1 91 VAL HA 1 92 ARG H 1.800 . 3.500 2.172 2.143 2.218 . 0 0 "[ . 1 . 2]" 1
963 1 91 VAL HB 1 92 ARG H 1.800 . 6.000 4.281 4.128 4.414 . 0 0 "[ . 1 . 2]" 1
964 1 91 VAL MG1 1 92 ARG H 1.800 . 5.000 2.808 2.482 3.129 . 0 0 "[ . 1 . 2]" 1
965 1 91 VAL MG2 1 92 ARG H 1.800 . 6.000 4.102 3.800 4.251 . 0 0 "[ . 1 . 2]" 1
966 1 92 ARG H 1 92 ARG QD 1.800 . 6.000 3.940 2.108 4.813 . 0 0 "[ . 1 . 2]" 1
967 1 92 ARG H 1 92 ARG QG 1.800 . 6.000 2.860 1.874 4.105 . 0 0 "[ . 1 . 2]" 1
968 1 92 ARG HA 1 93 GLY H 1.800 . 3.500 2.266 2.110 2.490 . 0 0 "[ . 1 . 2]" 1
969 1 92 ARG QB 1 93 GLY H 1.800 . 6.000 2.909 2.121 3.740 . 0 0 "[ . 1 . 2]" 1
970 1 92 ARG QD 1 93 GLY H 1.800 . 6.000 4.498 1.804 5.692 . 0 0 "[ . 1 . 2]" 1
971 1 92 ARG QG 1 93 GLY H 1.800 . 6.000 3.504 2.091 4.582 . 0 0 "[ . 1 . 2]" 1
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